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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, trans-

SMILES

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

InChI

InChIKey=WKJJNMWERMSARF-DTWKUNHWSA-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+/m0/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 20:52:29 GMT 2025
Edited
by admin
on Wed Apr 02 20:52:29 GMT 2025
Record UNII
Y5XHM55EF6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 2-(3,4-difluorophenyl)cyclopropanecarboxylate, trans-
Systematic Name English
(±)-trans-Ethyl 2-(3,4-difluorophenyl)cyclopropanecarboxylate
Preferred Name English
rel-Ethyl (1R,2R)-2-(3,4-difluorophenyl)cyclopropanecarboxylate
Systematic Name English
Cyclopropanecarboxylic acid, 2-(3,4-difluorophenyl)-, ethyl ester, (1R,2R)-rel-
Systematic Name English
Code System Code Type Description
FDA UNII
Y5XHM55EF6
Created by admin on Wed Apr 02 20:52:29 GMT 2025 , Edited by admin on Wed Apr 02 20:52:29 GMT 2025
PRIMARY
CAS
1590376-14-9
Created by admin on Wed Apr 02 20:52:29 GMT 2025 , Edited by admin on Wed Apr 02 20:52:29 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE