3-Fluoroacetophenone
TL;DR: 3-Fluoroacetophenone (CAS 455-36-7) 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-(3-fluorophenyl)ethanone
Also Known As: 3'-Fluoroacetophenone, 1-(3-Fluorophenyl)ethanone, m-Fluoroacetophenone, 3-FLUOROACETOPHENONE, 1-(3-fluorophenyl)ethan-1-one
| Molecular Formula | C8H7FO |
|---|---|
| Molecular Weight | 138.05 g/mol |
| LogP | 1.8 |
| 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 | 455-36-7 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)F |
| InChIKey | HCEKGPAHZCYRBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Fluoroacetophenone (CAS 455-36-7), with molecular formula C8H7FO and molecular weight 138.05 g/mol. IUPAC: 1-(3-fluorophenyl)ethanone.
Chemical Property Profile of 3-Fluoroacetophenone
Property Insights of 3-Fluoroacetophenone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoroacetophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Fluoroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Fluoroacetophenone?
The CAS number of 3-Fluoroacetophenone is 455-36-7.
What is the molecular formula of 3-Fluoroacetophenone?
The molecular formula of 3-Fluoroacetophenone is C8H7FO.
What is the molecular weight of 3-Fluoroacetophenone?
The molecular weight of 3-Fluoroacetophenone is 138.05 g/mol.
Where can I buy 3-Fluoroacetophenone?
You can request a quote for 3-Fluoroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.