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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H5F3O2
Molecular Weight 190.1193
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-TRIFLUOROMETHYL BENZOIC ACID

SMILES

OC(=O)C1=CC=C(C=C1)C(F)(F)F

InChI

InChIKey=SWKPKONEIZGROQ-UHFFFAOYSA-N
InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)

HIDE SMILES / InChI

Approval Year

Name Type Language
4-TRIFLUOROMETHYL BENZOIC ACID
Common Name English
NSC-88327
Code English
TECOVIRIMAT METABOLITE (TFMBA)
Common Name English
BENZOIC ACID, 4-(TRIFLUOROMETHYL)-
Common Name English
TFMBA
Common Name English
Code System Code Type Description
CAS
455-24-3
Created by admin on Sat Dec 16 12:22:22 GMT 2023 , Edited by admin on Sat Dec 16 12:22:22 GMT 2023
PRIMARY
NSC
88327
Created by admin on Sat Dec 16 12:22:22 GMT 2023 , Edited by admin on Sat Dec 16 12:22:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID0060018
Created by admin on Sat Dec 16 12:22:22 GMT 2023 , Edited by admin on Sat Dec 16 12:22:22 GMT 2023
PRIMARY
ECHA (EC/EINECS)
207-242-8
Created by admin on Sat Dec 16 12:22:22 GMT 2023 , Edited by admin on Sat Dec 16 12:22:22 GMT 2023
PRIMARY
FDA UNII
KA05X8S21Z
Created by admin on Sat Dec 16 12:22:22 GMT 2023 , Edited by admin on Sat Dec 16 12:22:22 GMT 2023
PRIMARY
PUBCHEM
9966
Created by admin on Sat Dec 16 12:22:22 GMT 2023 , Edited by admin on Sat Dec 16 12:22:22 GMT 2023
PRIMARY