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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H11F3O2
Molecular Weight 244.2097
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-(Trifluoromethyl)phenyl)prop-1-en-2-yl acetate

SMILES

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

InChI

InChIKey=GRDXTJCVEBTAMR-SOFGYWHQSA-N
InChI=1S/C12H11F3O2/c1-8(17-9(2)16)6-10-4-3-5-11(7-10)12(13,14)15/h3-7H,1-2H3/b8-6+

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Acetic acid 1-methyl-2-(3-trifluoromethyl-phenyl) vinyl
Preferred Name English
1-(3-(Trifluoromethyl)phenyl)prop-1-en-2-yl acetate
Systematic Name English
1-Propen-2-ol, 1-[3-(trifluoromethyl)phenyl]-, 2-acetate
Systematic Name English
Code System Code Type Description
CAS
2101305-73-9
Created by admin on Wed Apr 02 14:31:34 GMT 2025 , Edited by admin on Wed Apr 02 14:31:34 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
129267854
Created by admin on Wed Apr 02 14:31:34 GMT 2025 , Edited by admin on Wed Apr 02 14:31:34 GMT 2025
PRIMARY
FDA UNII
Q4T8DUU7VY
Created by admin on Wed Apr 02 14:31:34 GMT 2025 , Edited by admin on Wed Apr 02 14:31:34 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