1-(4-Chlorophenyl)-2-fluoroethan-1-one
TL;DR: 1-(4-Chlorophenyl)-2-fluoroethan-1-one (CAS 329-78-2) is a chemical compound with molecular formula C8H6ClFO and molecular weight 172.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-fluoroethanone
Also Known As: 1-(4-chlorophenyl)-2-fluoroethanone, 2-Fluoro-4'-chloroacetophenone, 1-(4-chlorophenyl)-2-fluoroethan-1-one, p-Chloro-alpha-fluoroacetophenone, 1-(4-chlorophenyl)-2-fluoro-ethanone
| Molecular Formula | C8H6ClFO |
|---|---|
| Molecular Weight | 172.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.00912 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 329-78-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CF)Cl |
| InChIKey | PYJRFTYRPATKFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorophenyl)-2-fluoroethan-1-one (CAS 329-78-2), with molecular formula C8H6ClFO and molecular weight 172.01 g/mol. IUPAC: 1-(4-chlorophenyl)-2-fluoroethanone.
Chemical Property Profile of 1-(4-Chlorophenyl)-2-fluoroethan-1-one
Property Insights of 1-(4-Chlorophenyl)-2-fluoroethan-1-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)-2-fluoroethan-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(4-Chlorophenyl)-2-fluoroethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-2-fluoroethan-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Chlorophenyl)-2-fluoroethan-1-one?
The CAS number of 1-(4-Chlorophenyl)-2-fluoroethan-1-one is 329-78-2.
What is the molecular formula of 1-(4-Chlorophenyl)-2-fluoroethan-1-one?
The molecular formula of 1-(4-Chlorophenyl)-2-fluoroethan-1-one is C8H6ClFO.
What is the molecular weight of 1-(4-Chlorophenyl)-2-fluoroethan-1-one?
The molecular weight of 1-(4-Chlorophenyl)-2-fluoroethan-1-one is 172.01 g/mol.
Where can I buy 1-(4-Chlorophenyl)-2-fluoroethan-1-one?
You can request a quote for 1-(4-Chlorophenyl)-2-fluoroethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-2-fluoroethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-2-fluoroethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.