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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H10F2O2
Molecular Weight 212.1927
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-Difluoro-γ-methylenebenzenebutanoic acid

SMILES

OC(=O)CCC(=C)C1=C(F)C=C(F)C=C1

InChI

InChIKey=AEKBJBNRZGVHBJ-UHFFFAOYSA-N
InChI=1S/C11H10F2O2/c1-7(2-5-11(14)15)9-4-3-8(12)6-10(9)13/h3-4,6H,1-2,5H2,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C11H10F2O2
Molecular Weight 212.1927
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:51:26 GMT 2023
Edited
by admin
on Sat Dec 16 19:51:26 GMT 2023
Record UNII
TKE3RS72L7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-Difluoro-γ-methylenebenzenebutanoic acid
Systematic Name English
Benzenebutanoic acid, 2,4-difluoro-γ-methylene-
Systematic Name English
Code System Code Type Description
CAS
165115-70-8
Created by admin on Sat Dec 16 19:51:26 GMT 2023 , Edited by admin on Sat Dec 16 19:51:26 GMT 2023
PRIMARY
FDA UNII
TKE3RS72L7
Created by admin on Sat Dec 16 19:51:26 GMT 2023 , Edited by admin on Sat Dec 16 19:51:26 GMT 2023
PRIMARY
PUBCHEM
11117352
Created by admin on Sat Dec 16 19:51:26 GMT 2023 , Edited by admin on Sat Dec 16 19:51:26 GMT 2023
PRIMARY