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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H9F3N2O
Molecular Weight 254.2079
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-propenamide

SMILES

CC(=C)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F

InChI

InChIKey=HHWDZLSGDDXUSM-UHFFFAOYSA-N
InChI=1S/C12H9F3N2O/c1-7(2)11(18)17-9-4-3-8(6-16)10(5-9)12(13,14)15/h3-5H,1H2,2H3,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C12H9F3N2O
Molecular Weight 254.2079
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:31:59 GMT 2025
Edited
by admin
on Wed Apr 02 17:31:59 GMT 2025
Record UNII
AG285KB3SV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-propenamide
Systematic Name English
2-Propenamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-
Preferred Name English
N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methylacrylamide
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20456989
Created by admin on Wed Apr 02 17:31:59 GMT 2025 , Edited by admin on Wed Apr 02 17:31:59 GMT 2025
PRIMARY
PUBCHEM
11149469
Created by admin on Wed Apr 02 17:31:59 GMT 2025 , Edited by admin on Wed Apr 02 17:31:59 GMT 2025
PRIMARY
CAS
90357-53-2
Created by admin on Wed Apr 02 17:31:59 GMT 2025 , Edited by admin on Wed Apr 02 17:31:59 GMT 2025
PRIMARY
FDA UNII
AG285KB3SV
Created by admin on Wed Apr 02 17:31:59 GMT 2025 , Edited by admin on Wed Apr 02 17:31:59 GMT 2025
PRIMARY