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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20F2O3
Molecular Weight 298.325
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2,4-Difluorophenyl)-2-(hydroxymethyl)-4-penten-1-yl 2-methylpropanoate, (2S)-

SMILES

CC(C)C(=O)OC[C@H](CO)CC(=C)C1=C(F)C=C(F)C=C1

InChI

InChIKey=JACXDHBRMMEIGY-LBPRGKRZSA-N
InChI=1S/C16H20F2O3/c1-10(2)16(20)21-9-12(8-19)6-11(3)14-5-4-13(17)7-15(14)18/h4-5,7,10,12,19H,3,6,8-9H2,1-2H3/t12-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-(2,4-Difluorophenyl)-2-(hydroxymethyl)-4-penten-1-yl 2-methylpropanoate, (2S)-
Systematic Name English
(2S)-4-(2,4-Difluorophenyl)-2-(hydroxymethyl)-4-penten-1-yl 2-methylpropanoate
Preferred Name English
Propanoic acid, 2-methyl-, 4-(2,4-difluorophenyl)-2-(hydroxymethyl)-4-pentenyl ester, (S)-
Systematic Name English
Propanoic acid, 2-methyl-, (2S)-4-(2,4-difluorophenyl)-2-(hydroxymethyl)-4-penten-1-yl ester
Systematic Name English
(S)-4-(2,4-Difluorophenyl)-2-(hydroxymethyl)pent-4-en-1-yl isobutyrate
Systematic Name English
Code System Code Type Description
CAS
192448-07-0
Created by admin on Wed Apr 02 19:13:43 GMT 2025 , Edited by admin on Wed Apr 02 19:13:43 GMT 2025
PRIMARY
FDA UNII
NQT6YK3CJS
Created by admin on Wed Apr 02 19:13:43 GMT 2025 , Edited by admin on Wed Apr 02 19:13:43 GMT 2025
PRIMARY
PUBCHEM
89304545
Created by admin on Wed Apr 02 19:13:43 GMT 2025 , Edited by admin on Wed Apr 02 19:13:43 GMT 2025
PRIMARY
NIH
NCATS
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