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-(2-fluorophenyl)-5-oxopentanoic acid

SMILES

OC(=O)CCCC(=O)C1=CC=CC=C1F

InChI

InChIKey=JLWPLUVEHPUZJI-UHFFFAOYSA-N
InChI=1S/C11H11FO3/c12-9-5-2-1-4-8(9)10(13)6-3-7-11(14)15/h1-2,4-5H,3,6-7H2,(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 18:25:11 GMT 2025
Edited
by admin
on Wed Apr 02 18:25:11 GMT 2025
Record UNII
NMH3ZAU5KL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(2-fluorophenyl)-5-oxopentanoic acid
Systematic Name English
2-Fluoro-?-oxobenzenepentanoic acid
Preferred Name English
Benzenepentanoic acid, 2-fluoro-?-oxo-
Systematic Name English
5-(2-Fluorophenyl)-5-oxovaleric acid
Systematic Name English
Code System Code Type Description
PUBCHEM
24726957
Created by admin on Wed Apr 02 18:25:11 GMT 2025 , Edited by admin on Wed Apr 02 18:25:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID70645341
Created by admin on Wed Apr 02 18:25:11 GMT 2025 , Edited by admin on Wed Apr 02 18:25:11 GMT 2025
PRIMARY
FDA UNII
NMH3ZAU5KL
Created by admin on Wed Apr 02 18:25:11 GMT 2025 , Edited by admin on Wed Apr 02 18:25:11 GMT 2025
PRIMARY
CAS
199664-70-5
Created by admin on Wed Apr 02 18:25:11 GMT 2025 , Edited by admin on Wed Apr 02 18:25:11 GMT 2025
PRIMARY