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Trifluoromethylbenzenes

Organic compounds that consist of a phenyl group bonded to a carbon that is bonded to three fluorine atoms in the following structure: C6H5CF3; also known as benzotrifluoride.

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1

(E)-Fluvoxamine Maleate, TRC

CAS: 61718-82-9 Molecular Formula: C15 H21 F3 N2 O2 . C4 H4 O4 Molecular Weight (g/mol): 434.41 Synonym: Fluvoxamine maleate,2-[[[(1E)-5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxy]ethanamine (Z)-butenedioate,1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (1E)-, (2Z)-2-butenedioate (1:1) (9CI, ACI),1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (E)-, (Z)-2-butenedioate (1:1) (ZCI),Avoksin,Avoxin,Depromel,DU 23000,Dumirox,Faverin,Faverin 50,Faverine,Fevarin,Floxyfral,Luvox,Maveral,MK 264,NSC 309469 IUPAC Name: (Z)-but-2-enedioic acid;2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine SMILES: COCCCC\C(=N/OCCN)\c1ccc(cc1)C(F)(F)F.OC(=O)\C=C/C(=O)O

CAS 61718-82-9
Molecular Weight (g/mol) 434.41
SMILES COCCCC\C(=N/OCCN)\c1ccc(cc1)C(F)(F)F.OC(=O)\C=C/C(=O)O
Synonym Fluvoxamine maleate,2-[[[(1E)-5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxy]ethanamine (Z)-butenedioate,1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (1E)-, (2Z)-2-butenedioate (1:1) (9CI, ACI),1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (E)-, (Z)-2-butenedioate (1:1) (ZCI),Avoksin,Avoxin,Depromel,DU 23000,Dumirox,Faverin,Faverin 50,Faverine,Fevarin,Floxyfral,Luvox,Maveral,MK 264,NSC 309469
IUPAC Name (Z)-but-2-enedioic acid;2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
Molecular Formula C15 H21 F3 N2 O2 . C4 H4 O4
2

Fluvoxamine, TRC

CAS: 54739-18-3 Molecular Weight (g/mol): 318.33 Synonym: 1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (1E)-,1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (E)-,Fluvoxamine IUPAC Name: 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine SMILES: COCCCC\C(=N/OCCN)\c1ccc(cc1)C(F)(F)F

CAS 54739-18-3
Molecular Weight (g/mol) 318.33
SMILES COCCCC\C(=N/OCCN)\c1ccc(cc1)C(F)(F)F
Synonym 1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (1E)-,1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (E)-,Fluvoxamine
IUPAC Name 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
3

Desmethyl Fluvoxamine, TRC

CAS: 192876-02-1 Molecular Formula: C14 H19 F3 N2 O2 Molecular Weight (g/mol): 304.31 Synonym: (1E)-5-hydroxy-1-[4-(trifluoromethyl)phenyl]-1-Pentanone O-(2-aminoethyl)oxime,1-Pentanone, 5-hydroxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (E)-,Fluvoxamino acid,Fluvoxamine Maleate Imp. G (EP) IUPAC Name: (5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol SMILES: NCCO\N=C(/CCCCO)\c1ccc(cc1)C(F)(F)F

CAS 192876-02-1
Molecular Weight (g/mol) 304.31
SMILES NCCO\N=C(/CCCCO)\c1ccc(cc1)C(F)(F)F
Synonym (1E)-5-hydroxy-1-[4-(trifluoromethyl)phenyl]-1-Pentanone O-(2-aminoethyl)oxime,1-Pentanone, 5-hydroxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (E)-,Fluvoxamino acid,Fluvoxamine Maleate Imp. G (EP)
IUPAC Name (5E)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentan-1-ol
Molecular Formula C14 H19 F3 N2 O2
4

Trifloxystrobin, TRC

CAS: 141517-21-7 Molecular Formula: C20 H19 F3 N2 O4 Molecular Weight (g/mol): 408.37 Synonym: Benzeneacetic acid, α-(methoxyimino)-2-[[[(E)-[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (αE)-,Benzeneacetic acid, α-(methoxyimino)-2-[[[[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (E,E)-,CGA 279202,Compass,Compass (strobilurin fungicide),Consist,Flint,Flint (fungicide),Tega,Trifloxystrobin,Trilex,Twist,Zato,Zato 50WG IUPAC Name: methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate SMILES: CO\N=C(\C(=O)OC)/c1ccccc1CO\N=C(/C)\c2cccc(c2)C(F)(F)F

CAS 141517-21-7
Molecular Weight (g/mol) 408.37
SMILES CO\N=C(\C(=O)OC)/c1ccccc1CO\N=C(/C)\c2cccc(c2)C(F)(F)F
Synonym Benzeneacetic acid, α-(methoxyimino)-2-[[[(E)-[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (αE)-,Benzeneacetic acid, α-(methoxyimino)-2-[[[[1-[3-(trifluoromethyl)phenyl]ethylidene]amino]oxy]methyl]-, methyl ester, (E,E)-,CGA 279202,Compass,Compass (strobilurin fungicide),Consist,Flint,Flint (fungicide),Tega,Trifloxystrobin,Trilex,Twist,Zato,Zato 50WG
IUPAC Name methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
Molecular Formula C20 H19 F3 N2 O4
5

5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone Oxime(Fluvoxamine Impurity), TRC

CAS: 88699-84-7 Molecular Formula: C13H16F3NO2 Molecular Weight (g/mol): 257.27 Synonym: Fluvoxamine Ep Impurity I SMILES: COCCCC\C(=N/O)\c1ccc(cc1)C(F)(F)F

CAS 88699-84-7
Molecular Weight (g/mol) 257.27
SMILES COCCCC\C(=N/O)\c1ccc(cc1)C(F)(F)F
Synonym Fluvoxamine Ep Impurity I
Molecular Formula C13H16F3NO2
6

N-Desmethyl Clotiazepam, TRC

CAS: 33671-37-3 Molecular Formula: C15 H13 Cl N2 O S Molecular Weight (g/mol): 304.79 Synonym: 5-(2-Chlorophenyl)-7-ethyl-1,3-dihydro-2H-thieno[2,3-e][1,4]diazepin-2-one,5-(o-Chlorophenyl)-7-ethyl-1,3-dihydro-2H-thieno[2,3-e]-1,4-diazepin-2-one IUPAC Name: 5-(2-chlorophenyl)-7-ethyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one SMILES: CCc1cc2C(=NCC(=O)Nc2s1)c3ccccc3Cl

CAS 33671-37-3
Molecular Weight (g/mol) 304.79
SMILES CCc1cc2C(=NCC(=O)Nc2s1)c3ccccc3Cl
Synonym 5-(2-Chlorophenyl)-7-ethyl-1,3-dihydro-2H-thieno[2,3-e][1,4]diazepin-2-one,5-(o-Chlorophenyl)-7-ethyl-1,3-dihydro-2H-thieno[2,3-e]-1,4-diazepin-2-one
IUPAC Name 5-(2-chlorophenyl)-7-ethyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
Molecular Formula C15 H13 Cl N2 O S
7

4-Amino-2-(trifluoromethyl)benzonitrile, 97%

CAS: 654-70-6 Molecular Formula: C8H5F3N2 Molecular Weight (g/mol): 186.14 InChI Key: PMDYLCUKSLBUHO-UHFFFAOYSA-N Synonym: 4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile PubChem CID: 522170 IUPAC Name: 4-amino-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1N)C(F)(F)F)C#N

PubChem CID 522170
CAS 654-70-6
Molecular Weight (g/mol) 186.14
SMILES C1=CC(=C(C=C1N)C(F)(F)F)C#N
Synonym 4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile
IUPAC Name 4-amino-2-(trifluoromethyl)benzonitrile
InChI Key PMDYLCUKSLBUHO-UHFFFAOYSA-N
Molecular Formula C8H5F3N2
8

Triflumizole, TRC

CAS: 68694-11-1 Molecular Formula: C15 H15 Cl F3 N3 O Molecular Weight (g/mol): 345.75 Synonym: [N(E)]-4-Chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine,1-[(1E)-1-[[4-Chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-1H-imidazole,(E)-1-[1-[[4-Chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-1H-imidazole,Condor,NF 114,Procure,Procure (fungicide),SSP 11,Terraguard,Triflumizol,Triflumizole,Trifmine,Trifumin,Trifumine IUPAC Name: (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine SMILES: CCCOC\C(=N/c1ccc(Cl)cc1C(F)(F)F)\n2ccnc2

CAS 68694-11-1
Molecular Weight (g/mol) 345.75
SMILES CCCOC\C(=N/c1ccc(Cl)cc1C(F)(F)F)\n2ccnc2
Synonym [N(E)]-4-Chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine,1-[(1E)-1-[[4-Chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-1H-imidazole,(E)-1-[1-[[4-Chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-1H-imidazole,Condor,NF 114,Procure,Procure (fungicide),SSP 11,Terraguard,Triflumizol,Triflumizole,Trifmine,Trifumin,Trifumine
IUPAC Name (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine
Molecular Formula C15 H15 Cl F3 N3 O