2-(2-Fluoro-3-methylphenyl)acetonitrile
TL;DR: 2-(2-Fluoro-3-methylphenyl)acetonitrile (CAS 878741-82-3) is a chemical compound with molecular formula C9H8FN and molecular weight 149.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-fluoro-3-methylphenyl)acetonitrile
Also Known As: 2-(2-fluoro-3-methylphenyl)acetonitrile, 2-Fluoro-3-methylphenylacetonitrile, 2-Fluoro-3-methylbenzeneacetonitrile, (2-fluoro-3-methylphenyl)acetonitrile, Benzeneacetonitrile, 2-fluoro-3-methyl-
| Molecular Formula | C9H8FN |
|---|---|
| Molecular Weight | 149.06 g/mol |
| LogP | 2.2002 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.06407 |
| Heavy Atoms | 11 |
| Complexity | 298.9213 |
Chemical Identifiers
| CAS Number | 878741-82-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)CC#N)F |
Product Overview
2-(2-Fluoro-3-methylphenyl)acetonitrile (CAS 878741-82-3), with molecular formula C9H8FN and molecular weight 149.06 g/mol. IUPAC: 2-(2-fluoro-3-methylphenyl)acetonitrile.
Chemical Property Profile of 2-(2-Fluoro-3-methylphenyl)acetonitrile
Property Insights of 2-(2-Fluoro-3-methylphenyl)acetonitrile
The XLogP value of 2.2002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Fluoro-3-methylphenyl)acetonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2-(2-Fluoro-3-methylphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Fluoro-3-methylphenyl)acetonitrile has 0 hydrogen bond donor(s) and 1 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-(2-Fluoro-3-methylphenyl)acetonitrile?
The CAS number of 2-(2-Fluoro-3-methylphenyl)acetonitrile is 878741-82-3.
What is the molecular formula of 2-(2-Fluoro-3-methylphenyl)acetonitrile?
The molecular formula of 2-(2-Fluoro-3-methylphenyl)acetonitrile is C9H8FN.
What is the molecular weight of 2-(2-Fluoro-3-methylphenyl)acetonitrile?
The molecular weight of 2-(2-Fluoro-3-methylphenyl)acetonitrile is 149.06 g/mol.
Where can I buy 2-(2-Fluoro-3-methylphenyl)acetonitrile?
You can request a quote for 2-(2-Fluoro-3-methylphenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Fluoro-3-methylphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Fluoro-3-methylphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.