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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H10ClFO
Molecular Weight 200.637
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Chloro-1-(3-fluorophenyl)-1-butanone

SMILES

FC1=CC(=CC=C1)C(=O)CCCCl

InChI

InChIKey=PLSCLNABOWDJKS-UHFFFAOYSA-N
InChI=1S/C10H10ClFO/c11-6-2-5-10(13)8-3-1-4-9(12)7-8/h1,3-4,7H,2,5-6H2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-Chloro-1-(3-fluorophenyl)-1-butanone
Systematic Name English
Butyrophenone, 4-chloro-3?-fluoro-
Preferred Name English
Code System Code Type Description
PUBCHEM
18399920
Created by admin on Wed Apr 02 18:06:52 GMT 2025 , Edited by admin on Wed Apr 02 18:06:52 GMT 2025
PRIMARY
EPA CompTox
DTXSID80593384
Created by admin on Wed Apr 02 18:06:52 GMT 2025 , Edited by admin on Wed Apr 02 18:06:52 GMT 2025
PRIMARY
FDA UNII
V4ZR7K4VVA
Created by admin on Wed Apr 02 18:06:52 GMT 2025 , Edited by admin on Wed Apr 02 18:06:52 GMT 2025
PRIMARY
CAS
3110-52-9
Created by admin on Wed Apr 02 18:06:52 GMT 2025 , Edited by admin on Wed Apr 02 18:06:52 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966