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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H14F3NO3
Molecular Weight 289.2504
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 4-(p-trifluoroacetamidophenyl)butyrate

SMILES

COC(=O)CCCC1=CC=C(NC(=O)C(F)(F)F)C=C1

InChI

InChIKey=PTVYRPUPPYROIW-UHFFFAOYSA-N
InChI=1S/C13H14F3NO3/c1-20-11(18)4-2-3-9-5-7-10(8-6-9)17-12(19)13(14,15)16/h5-8H,2-4H2,1H3,(H,17,19)

HIDE SMILES / InChI

Molecular Formula C13H14F3NO3
Molecular Weight 289.2504
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 Tue Apr 01 19:55:44 GMT 2025
Edited
by admin
on Tue Apr 01 19:55:44 GMT 2025
Record UNII
S2UC96M8LU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 4-(p-trifluoroacetamidophenyl)butyrate
Systematic Name English
NSC-82828
Preferred Name English
Benzenebutanoic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, methyl ester
Systematic Name English
Butyric acid, 4-(p-trifluoroacetamidophenyl)-, methyl ester
Systematic Name English
Methyl 4-[(2,2,2-trifluoroacetyl)amino]benzenebutanoate
Systematic Name English
Benzenebutanoic acid, 4-((trifluoroacetyl)amino)-, methyl ester
Systematic Name English
Code System Code Type Description
CAS
73747-24-7
Created by admin on Tue Apr 01 19:55:44 GMT 2025 , Edited by admin on Tue Apr 01 19:55:44 GMT 2025
PRIMARY
PUBCHEM
52343
Created by admin on Tue Apr 01 19:55:44 GMT 2025 , Edited by admin on Tue Apr 01 19:55:44 GMT 2025
PRIMARY
FDA UNII
S2UC96M8LU
Created by admin on Tue Apr 01 19:55:44 GMT 2025 , Edited by admin on Tue Apr 01 19:55:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID00224067
Created by admin on Tue Apr 01 19:55:44 GMT 2025 , Edited by admin on Tue Apr 01 19:55:44 GMT 2025
PRIMARY
NSC
82828
Created by admin on Tue Apr 01 19:55:44 GMT 2025 , Edited by admin on Tue Apr 01 19:55:44 GMT 2025
PRIMARY