U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6F3N
Molecular Weight 161.1244
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-TRIFLUOROMETHYLANILINE

SMILES

NC1=CC(=CC=C1)C(F)(F)F

InChI

InChIKey=VIUDTWATMPPKEL-UHFFFAOYSA-N
InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2

HIDE SMILES / InChI

Molecular Formula C7H6F3N
Molecular Weight 161.1244
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
New designer drug 1-(3-trifluoromethylphenyl) piperazine (TFMPP): gas chromatography/mass spectrometry and liquid chromatography/mass spectrometry studies on its phase I and II metabolism and on its toxicological detection in rat urine.
2003 Sep
Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3-aminobenzotrifluoride.
2007 May
(E)-4-Meth-oxy-2-[3-(trifluoro-meth-yl)phenyl-imino-meth-yl]phenol.
2009 Nov 28
(E)-2-[3-(Trifluoro-meth-yl)phenyl-imino-meth-yl]benzene-1,4-diol.
2009 Oct 17
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:27:48 UTC 2023
Edited
by admin
on Fri Dec 15 17:27:48 UTC 2023
Record UNII
Z1RWM538YN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-TRIFLUOROMETHYLANILINE
Systematic Name English
M-AMINO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUOROTOLUENE
Systematic Name English
3-(TRIFLUOROMETHYL)PHENYLAMINE
Systematic Name English
3-AMINO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUOROTOLUENE
Systematic Name English
M-TRIFLUOROMETHYLANILINE
Systematic Name English
BENZENAMINE, 3-(TRIFLUOROMETHYL)-
Systematic Name English
AMINO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE, 3-
Systematic Name English
1-AMINO-3-(TRIFLUOROMETHYL)BENZENE
Systematic Name English
NSC-4540
Code English
M-(TRIFLUOROMETHYL)ANILINE [HSDB]
Common Name English
M-AMINOBENZAL FLUORIDE
Systematic Name English
.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLUIDINE
Systematic Name English
3-AMINOBENZOTRIFLUORIDE
Common Name English
M-AMINOBENZOTRIFLUORIDE
Common Name English
3-(TRIFLUOROMETHYL)BENZENAMINE
Systematic Name English
M-(TRIFLUOROMETHYL)ANILINE
HSDB  
Systematic Name English
3-(TRIFLUOROMETHYL)ANILINE
Systematic Name English
FLUTAMIDE IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
NSC
4540
Created by admin on Fri Dec 15 17:27:48 UTC 2023 , Edited by admin on Fri Dec 15 17:27:48 UTC 2023
PRIMARY
PUBCHEM
7375
Created by admin on Fri Dec 15 17:27:48 UTC 2023 , Edited by admin on Fri Dec 15 17:27:48 UTC 2023
PRIMARY
FDA UNII
Z1RWM538YN
Created by admin on Fri Dec 15 17:27:48 UTC 2023 , Edited by admin on Fri Dec 15 17:27:48 UTC 2023
PRIMARY
HSDB
4249
Created by admin on Fri Dec 15 17:27:48 UTC 2023 , Edited by admin on Fri Dec 15 17:27:48 UTC 2023
PRIMARY
WIKIPEDIA
3-(Trifluoromethyl)aniline
Created by admin on Fri Dec 15 17:27:48 UTC 2023 , Edited by admin on Fri Dec 15 17:27:48 UTC 2023
PRIMARY
ECHA (EC/EINECS)
202-643-4
Created by admin on Fri Dec 15 17:27:48 UTC 2023 , Edited by admin on Fri Dec 15 17:27:48 UTC 2023
PRIMARY
CAS
98-16-8
Created by admin on Fri Dec 15 17:27:48 UTC 2023 , Edited by admin on Fri Dec 15 17:27:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID9024512
Created by admin on Fri Dec 15 17:27:48 UTC 2023 , Edited by admin on Fri Dec 15 17:27:48 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP