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

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Patents

Patents

03932662
2
04045209
4
04061655
2
04110454
6
04402960
7
04977170
2
05426188
3
05508415
3
05773476
2
06677334
4
06703402
4
07148232
4
07157476
2
07166635
3
07230133
2
07253190
2
07465750
39
07589200
16
07629376
2
07858784
8
07875728
9
07923466
2
08133886
2
08399674
2
08410266
16
08435995
5
08440674
2
08519188
2
08536182
5
08741899
5
08759334
4
08841318
3
JP2003300886A
2
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:27:48 GMT 2023
Edited
by admin
on Fri Dec 15 17:27:48 GMT 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 GMT 2023 , Edited by admin on Fri Dec 15 17:27:48 GMT 2023
PRIMARY
PUBCHEM
7375
Created by admin on Fri Dec 15 17:27:48 GMT 2023 , Edited by admin on Fri Dec 15 17:27:48 GMT 2023
PRIMARY
FDA UNII
Z1RWM538YN
Created by admin on Fri Dec 15 17:27:48 GMT 2023 , Edited by admin on Fri Dec 15 17:27:48 GMT 2023
PRIMARY
HSDB
4249
Created by admin on Fri Dec 15 17:27:48 GMT 2023 , Edited by admin on Fri Dec 15 17:27:48 GMT 2023
PRIMARY
WIKIPEDIA
3-(Trifluoromethyl)aniline
Created by admin on Fri Dec 15 17:27:48 GMT 2023 , Edited by admin on Fri Dec 15 17:27:48 GMT 2023
PRIMARY
ECHA (EC/EINECS)
202-643-4
Created by admin on Fri Dec 15 17:27:48 GMT 2023 , Edited by admin on Fri Dec 15 17:27:48 GMT 2023
PRIMARY
CAS
98-16-8
Created by admin on Fri Dec 15 17:27:48 GMT 2023 , Edited by admin on Fri Dec 15 17:27:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID9024512
Created by admin on Fri Dec 15 17:27:48 GMT 2023 , Edited by admin on Fri Dec 15 17:27:48 GMT 2023
PRIMARY
Related Record Type Details
Structure of 3-(Trifluoromethyl)aniline hydrochloride
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of FLUTAMIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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