o-Fluoroacetophenone
TL;DR: o-Fluoroacetophenone (CAS 445-27-2) is a chemical compound with molecular formula C8H7FO and molecular weight 138.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluorophenyl)ethanone
Also Known As: 2'-Fluoroacetophenone, 1-(2-Fluorophenyl)ethanone, o-Fluoroacetophenone, 2-Fluoroacetophenone, 1-(2-fluorophenyl)ethan-1-one
| Molecular Formula | C8H7FO |
|---|---|
| Molecular Weight | 138.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.0481 |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 445-27-2 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1F |
| InChIKey | QMATYTFXDIWACW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Fluoroacetophenone (CAS 445-27-2), with molecular formula C8H7FO and molecular weight 138.05 g/mol. IUPAC: 1-(2-fluorophenyl)ethanone.
Chemical Property Profile of o-Fluoroacetophenone
Property Insights of o-Fluoroacetophenone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Fluoroacetophenone. With a topological polar surface area (TPSA) of 17.1 Ų, o-Fluoroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Fluoroacetophenone 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 o-Fluoroacetophenone?
The CAS number of o-Fluoroacetophenone is 445-27-2.
What is the molecular formula of o-Fluoroacetophenone?
The molecular formula of o-Fluoroacetophenone is C8H7FO.
What is the molecular weight of o-Fluoroacetophenone?
The molecular weight of o-Fluoroacetophenone is 138.05 g/mol.
Where can I buy o-Fluoroacetophenone?
You can request a quote for o-Fluoroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Fluoroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for o-Fluoroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.