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 4-(Trifluoromethyl)aniline

SMILES

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

InChI

InChIKey=ODGIMMLDVSWADK-UHFFFAOYSA-N
InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/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
N-(2-Ferrocenylethyl-idene)-4-(trifluoro-meth-yl)aniline.
2009-03-28
Synthesis and cytotoxicity studies of novel [1,2,4]triazolo[1,5-a]pyrimidine-7-amines.
2008-07
Spectrophotometric stability-indicating methods for the determination of leflunomide in the presence of its degradates.
2007-01-18
A novel synthesis of (E)-3-methylthio-3-substituted arylamino-2-cyanoacrylates under microwave irradiation.
2005-10-31
Micro-organic ion-associate phase extraction via in situ fresh phase formation for the preconcentration and determination of di(2-ethylhexyl)phthalate in river water by HPLC.
2004-01
Micro-phase sorbent extraction for trace analysis via in situ sorbent formation: application to the spectrophotometric determination of nitrite in environmental waters.
2003-02
Synthesis of ribosomal proteins in developing Dictyostelium discoideum cells is controlled by the methylation of proteins S24 and S31.
2002
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:44:33 GMT 2025
Edited
by admin
on Mon Mar 31 20:44:33 GMT 2025
Record UNII
RQJ623MB8G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LEFLUNOMIDE RELATED COMPOUND A
USP   USP-RS  
Preferred Name English
4-(Trifluoromethyl)aniline
Systematic Name English
P-(TRIFLUOROMETHYL)ANILINE
Systematic Name English
LEFLUNOMIDE IMPURITY A [EP IMPURITY]
Common Name English
4-TFMA
Common Name English
LEFLUNOMIDE RELATED COMPOUND A [USP IMPURITY]
Common Name English
(4-(TRIFLUOROMETHYL)PHENYL)AMINE
Systematic Name English
.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-P-TOLUIDINE
Common Name English
TERIFLUNOMIDE METABOLITE (4-TFMA)
Common Name English
NSC-10337
Code English
4-AMINOBENZOTRIFLUORIDE
Systematic Name English
BENZENAMINE, 4-(TRIFLUOROMETHYL)-
Systematic Name English
P-AMINOBENZOTRIFLUORIDE
Systematic Name English
LEFLUNOMIDE RELATED COMPOUND A [USP-RS]
Common Name English
Code System Code Type Description
NSC
10337
Created by admin on Mon Mar 31 20:44:33 GMT 2025 , Edited by admin on Mon Mar 31 20:44:33 GMT 2025
PRIMARY
FDA UNII
RQJ623MB8G
Created by admin on Mon Mar 31 20:44:33 GMT 2025 , Edited by admin on Mon Mar 31 20:44:33 GMT 2025
PRIMARY
PUBCHEM
9964
Created by admin on Mon Mar 31 20:44:33 GMT 2025 , Edited by admin on Mon Mar 31 20:44:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID5060013
Created by admin on Mon Mar 31 20:44:33 GMT 2025 , Edited by admin on Mon Mar 31 20:44:33 GMT 2025
PRIMARY
RS_ITEM_NUM
1357045
Created by admin on Mon Mar 31 20:44:33 GMT 2025 , Edited by admin on Mon Mar 31 20:44:33 GMT 2025
PRIMARY
ECHA (EC/EINECS)
207-236-5
Created by admin on Mon Mar 31 20:44:33 GMT 2025 , Edited by admin on Mon Mar 31 20:44:33 GMT 2025
PRIMARY
CHEBI
40750
Created by admin on Mon Mar 31 20:44:33 GMT 2025 , Edited by admin on Mon Mar 31 20:44:33 GMT 2025
PRIMARY
CAS
455-14-1
Created by admin on Mon Mar 31 20:44:33 GMT 2025 , Edited by admin on Mon Mar 31 20:44:33 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
4-TFMA was not detected in the single dose metabolism study, but was detected in very small amount after repeated dosing in clinical trials 4-TFMA plasma concentrations were measurable at relatively low concentrations after repeated teriflunomide doses of 7 mg (?1.7 ng/mL) and 14 mg (?5.31 ng/mL) for 468 weeks.
MINOR
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY