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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H11FO3
Molecular Weight 210.2016
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(3-Fluorophenyl)-5-oxopentanoic acid

SMILES

OC(=O)CCCC(=O)C1=CC=CC(F)=C1

InChI

InChIKey=VMDBDUOSNLRJAG-UHFFFAOYSA-N
InChI=1S/C11H11FO3/c12-9-4-1-3-8(7-9)10(13)5-2-6-11(14)15/h1,3-4,7H,2,5-6H2,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C11H11FO3
Molecular Weight 210.2016
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 Wed Apr 02 17:59:15 GMT 2025
Edited
by admin
on Wed Apr 02 17:59:15 GMT 2025
Record UNII
VEF7WY95UX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Fluoro-?-oxobenzenepentanoic acid
Preferred Name English
5-(3-Fluorophenyl)-5-oxopentanoic acid
Systematic Name English
Benzenepentanoic acid, 3-fluoro-?-oxo-
Systematic Name English
5-(3-Fluorophenyl)-5-oxovaleric acid
Systematic Name English
Code System Code Type Description
CAS
845790-38-7
Created by admin on Wed Apr 02 17:59:15 GMT 2025 , Edited by admin on Wed Apr 02 17:59:15 GMT 2025
PRIMARY
FDA UNII
VEF7WY95UX
Created by admin on Wed Apr 02 17:59:15 GMT 2025 , Edited by admin on Wed Apr 02 17:59:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID00374652
Created by admin on Wed Apr 02 17:59:15 GMT 2025 , Edited by admin on Wed Apr 02 17:59:15 GMT 2025
PRIMARY
PUBCHEM
2759127
Created by admin on Wed Apr 02 17:59:15 GMT 2025 , Edited by admin on Wed Apr 02 17:59:15 GMT 2025
PRIMARY