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

Details

Stereochemistry RACEMIC
Molecular Formula C12H12F2O2
Molecular Weight 226.2193
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 2-(3,4-difluorophenyl)cyclopropanecarboxylate, cis-

SMILES

CCOC(=O)[C@@H]1C[C@@H]1C2=CC(F)=C(F)C=C2

InChI

InChIKey=WKJJNMWERMSARF-RKDXNWHRSA-N
InChI=1S/C12H12F2O2/c1-2-16-12(15)9-6-8(9)7-3-4-10(13)11(14)5-7/h3-5,8-9H,2,6H2,1H3/t8-,9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H12F2O2
Molecular Weight 226.2193
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:24:08 GMT 2025
Edited
by admin
on Wed Apr 02 20:24:08 GMT 2025
Record UNII
QZ4L85YS6N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Cyclopropanecarboxylic acid, 2-(3,4-difluorophenyl)-, ethyl ester, (1R,2S)-rel-
Preferred Name English
Ethyl 2-(3,4-difluorophenyl)cyclopropanecarboxylate, cis-
Systematic Name English
rel-Ethyl (1R,2S)-2-(3,4-difluorophenyl)cyclopropanecarboxylate
Systematic Name English
Code System Code Type Description
CAS
2051515-21-8
Created by admin on Wed Apr 02 20:24:08 GMT 2025 , Edited by admin on Wed Apr 02 20:24:08 GMT 2025
PRIMARY
FDA UNII
QZ4L85YS6N
Created by admin on Wed Apr 02 20:24:08 GMT 2025 , Edited by admin on Wed Apr 02 20:24:08 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE