2-Fluorobenzonitrile
TL;DR: 2-Fluorobenzonitrile (CAS 394-47-8) is a chemical compound with molecular formula C7H4FN and molecular weight 121.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluorobenzonitrile
Also Known As: 2-Fluorobenzonitrile, o-Fluorobenzonitrile, o-Cyanofluorobenzene, Benzonitrile, 2-fluoro-, 2-Cyanofluorobenzene
| Molecular Formula | C7H4FN |
|---|---|
| Molecular Weight | 121.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.032776 |
| Heavy Atoms | 9 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 394-47-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)F |
| InChIKey | GDHXJNRAJRCGMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluorobenzonitrile (CAS 394-47-8), with molecular formula C7H4FN and molecular weight 121.03 g/mol. IUPAC: 2-fluorobenzonitrile.
Chemical Property Profile of 2-Fluorobenzonitrile
Property Insights of 2-Fluorobenzonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluorobenzonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Fluorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluorobenzonitrile 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 2-Fluorobenzonitrile?
The CAS number of 2-Fluorobenzonitrile is 394-47-8.
What is the molecular formula of 2-Fluorobenzonitrile?
The molecular formula of 2-Fluorobenzonitrile is C7H4FN.
What is the molecular weight of 2-Fluorobenzonitrile?
The molecular weight of 2-Fluorobenzonitrile is 121.03 g/mol.
Where can I buy 2-Fluorobenzonitrile?
You can request a quote for 2-Fluorobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.