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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H2F6O2
Molecular Weight 208.0586
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4,4-Trifluoro-3-(trifluoromethyl)-2-butenoic acid

SMILES

OC(=O)C=C(C(F)(F)F)C(F)(F)F

InChI

InChIKey=ZSBJCNVMTCMOBW-UHFFFAOYSA-N
InChI=1S/C5H2F6O2/c6-4(7,8)2(1-3(12)13)5(9,10)11/h1H,(H,12,13)

HIDE SMILES / InChI

Approval Year

Name Type Language
2-Butenoic acid, 4,4,4-trifluoro-3-trifluoromethyl-
Preferred Name English
4,4,4-Trifluoro-3-(trifluoromethyl)-2-butenoic acid
Systematic Name English
2-Butenoic acid, 4,4,4-trifluoro-3-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
8W5PUE36ZE
Created by admin on Tue Apr 01 19:46:16 GMT 2025 , Edited by admin on Tue Apr 01 19:46:16 GMT 2025
PRIMARY
CAS
1763-28-6
Created by admin on Tue Apr 01 19:46:16 GMT 2025 , Edited by admin on Tue Apr 01 19:46:16 GMT 2025
PRIMARY
ECHA (EC/EINECS)
217-180-3
Created by admin on Tue Apr 01 19:46:16 GMT 2025 , Edited by admin on Tue Apr 01 19:46:16 GMT 2025
PRIMARY
PUBCHEM
15669
Created by admin on Tue Apr 01 19:46:16 GMT 2025 , Edited by admin on Tue Apr 01 19:46:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID30170109
Created by admin on Tue Apr 01 19:46:16 GMT 2025 , Edited by admin on Tue Apr 01 19:46:16 GMT 2025
PRIMARY