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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H8F6O2
Molecular Weight 286.1704
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2-(3,5-ditrifluoromethylphenyl)acetate

SMILES

COC(=O)CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChIKey=URDXSDHDNSBKHI-UHFFFAOYSA-N
InChI=1S/C11H8F6O2/c1-19-9(18)4-6-2-7(10(12,13)14)5-8(3-6)11(15,16)17/h2-3,5H,4H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Methyl 2-(3,5-ditrifluoromethylphenyl)acetate
Systematic Name English
3,5-Bis-trifluoromethylphenylacetic acid methyl ester
Preferred Name English
Methyl 3,5-bis(trifluoromethyl)benzeneacetate
Systematic Name English
Code System Code Type Description
PUBCHEM
10401718
Created by admin on Wed Apr 02 18:22:58 GMT 2025 , Edited by admin on Wed Apr 02 18:22:58 GMT 2025
PRIMARY
FDA UNII
Y5E9L8J7Y7
Created by admin on Wed Apr 02 18:22:58 GMT 2025 , Edited by admin on Wed Apr 02 18:22:58 GMT 2025
PRIMARY
CAS
95299-16-4
Created by admin on Wed Apr 02 18:22:58 GMT 2025 , Edited by admin on Wed Apr 02 18:22:58 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966