3-(3-Fluorophenyl)-3-oxopropanenitrile
TL;DR: 3-(3-Fluorophenyl)-3-oxopropanenitrile (CAS 21667-61-8) is a chemical compound with molecular formula C9H6FNO and molecular weight 163.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-fluorophenyl)-3-oxopropanenitrile
Also Known As: 3-Fluorobenzoylacetonitrile, 3-(3-fluorophenyl)-3-oxopropanenitrile, methyl 2-fluoroacrylate, (m-fluorobenzoyl)-acetonitrile, m-fluorobenzoylacetonitrile
| Molecular Formula | C9H6FNO |
|---|---|
| Molecular Weight | 163.04 g/mol |
| LogP | 1.92208 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.04333 |
| Heavy Atoms | 12 |
| Complexity | 340.62692 |
Chemical Identifiers
| CAS Number | 21667-61-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C(=O)CC#N |
Product Overview
3-(3-Fluorophenyl)-3-oxopropanenitrile (CAS 21667-61-8), with molecular formula C9H6FNO and molecular weight 163.04 g/mol. IUPAC: 3-(3-fluorophenyl)-3-oxopropanenitrile.
Chemical Property Profile of 3-(3-Fluorophenyl)-3-oxopropanenitrile
Property Insights of 3-(3-Fluorophenyl)-3-oxopropanenitrile
The XLogP value of 1.92208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Fluorophenyl)-3-oxopropanenitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 3-(3-Fluorophenyl)-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Fluorophenyl)-3-oxopropanenitrile 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-(3-Fluorophenyl)-3-oxopropanenitrile?
The CAS number of 3-(3-Fluorophenyl)-3-oxopropanenitrile is 21667-61-8.
What is the molecular formula of 3-(3-Fluorophenyl)-3-oxopropanenitrile?
The molecular formula of 3-(3-Fluorophenyl)-3-oxopropanenitrile is C9H6FNO.
What is the molecular weight of 3-(3-Fluorophenyl)-3-oxopropanenitrile?
The molecular weight of 3-(3-Fluorophenyl)-3-oxopropanenitrile is 163.04 g/mol.
Where can I buy 3-(3-Fluorophenyl)-3-oxopropanenitrile?
You can request a quote for 3-(3-Fluorophenyl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Fluorophenyl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Fluorophenyl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.