Benzeneacetonitrile, 4-fluoro-
TL;DR: Benzeneacetonitrile, 4-fluoro- (CAS 459-22-3) is a chemical compound with molecular formula C8H6FN and molecular weight 135.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)acetonitrile
Also Known As: 4-Fluorophenylacetonitrile, 4-Fluorobenzyl cyanide, p-Fluorobenzyl cyanide, 4-Fluorobenzylcyanide, Benzeneacetonitrile, 4-fluoro-
| Molecular Formula | C8H6FN |
|---|---|
| Molecular Weight | 135.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.04843 |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 459-22-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CC#N)F |
| InChIKey | JHQBLYITVCBGTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetonitrile, 4-fluoro- (CAS 459-22-3), with molecular formula C8H6FN and molecular weight 135.05 g/mol. IUPAC: 2-(4-fluorophenyl)acetonitrile.
Chemical Property Profile of Benzeneacetonitrile, 4-fluoro-
Property Insights of Benzeneacetonitrile, 4-fluoro-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetonitrile, 4-fluoro-. With a topological polar surface area (TPSA) of 23.8 Ų, Benzeneacetonitrile, 4-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetonitrile, 4-fluoro- 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 Benzeneacetonitrile, 4-fluoro-?
The CAS number of Benzeneacetonitrile, 4-fluoro- is 459-22-3.
What is the molecular formula of Benzeneacetonitrile, 4-fluoro-?
The molecular formula of Benzeneacetonitrile, 4-fluoro- is C8H6FN.
What is the molecular weight of Benzeneacetonitrile, 4-fluoro-?
The molecular weight of Benzeneacetonitrile, 4-fluoro- is 135.05 g/mol.
Where can I buy Benzeneacetonitrile, 4-fluoro-?
You can request a quote for Benzeneacetonitrile, 4-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetonitrile, 4-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetonitrile, 4-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.