2-(2,6-Difluoro-3-methoxyphenyl)acetonitrile
TL;DR: 2-(2,6-Difluoro-3-methoxyphenyl)acetonitrile (CAS 886498-69-7) is a chemical compound with molecular formula C9H7F2NO and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-difluoro-3-methoxyphenyl)acetonitrile
Also Known As: 2,6-Difluoro-3-methoxyphenylacetonitrile, 2-(2,6-difluoro-3-methoxyphenyl)acetonitrile, 2-(2,6-difluoro-3-methoxy-phenyl)acetonitrile, (2,6-Difluoro-3-methoxyphenyl)acetonitrile, Benzeneacetonitrile, 2,6-difluoro-3-methoxy-
| Molecular Formula | C9H7F2NO |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 2.03948 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.04958 |
| Heavy Atoms | 13 |
| Complexity | 357.3677 |
Chemical Identifiers
| CAS Number | 886498-69-7 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)F)CC#N)F |
Product Overview
2-(2,6-Difluoro-3-methoxyphenyl)acetonitrile (CAS 886498-69-7), with molecular formula C9H7F2NO and molecular weight 183.05 g/mol. IUPAC: 2-(2,6-difluoro-3-methoxyphenyl)acetonitrile.
Chemical Property Profile of 2-(2,6-Difluoro-3-methoxyphenyl)acetonitrile
Property Insights of 2-(2,6-Difluoro-3-methoxyphenyl)acetonitrile
The XLogP value of 2.03948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,6-Difluoro-3-methoxyphenyl)acetonitrile. With a topological polar surface area (TPSA) of 33.02 Ų, 2-(2,6-Difluoro-3-methoxyphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,6-Difluoro-3-methoxyphenyl)acetonitrile 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-(2,6-Difluoro-3-methoxyphenyl)acetonitrile?
The CAS number of 2-(2,6-Difluoro-3-methoxyphenyl)acetonitrile is 886498-69-7.
What is the molecular formula of 2-(2,6-Difluoro-3-methoxyphenyl)acetonitrile?
The molecular formula of 2-(2,6-Difluoro-3-methoxyphenyl)acetonitrile is C9H7F2NO.
What is the molecular weight of 2-(2,6-Difluoro-3-methoxyphenyl)acetonitrile?
The molecular weight of 2-(2,6-Difluoro-3-methoxyphenyl)acetonitrile is 183.05 g/mol.
Where can I buy 2-(2,6-Difluoro-3-methoxyphenyl)acetonitrile?
You can request a quote for 2-(2,6-Difluoro-3-methoxyphenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,6-Difluoro-3-methoxyphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,6-Difluoro-3-methoxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.