2-Fluoro-6-(4-fluorophenoxy)benzonitrile
TL;DR: 2-Fluoro-6-(4-fluorophenoxy)benzonitrile (CAS 175204-07-6) is a chemical compound with molecular formula C13H7F2NO and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-6-(4-fluorophenoxy)benzonitrile
Also Known As: 2-fluoro-6-(4-fluorophenoxy)benzonitrile, Maybridge1_005637, 2-Cyano-3,4'-difluorodiphenyl ether, DivK1c_001925, CDS1_000885
| Molecular Formula | C13H7F2NO |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 3.62878 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.04958 |
| Heavy Atoms | 17 |
| Complexity | 572.9636 |
Chemical Identifiers
| CAS Number | 175204-07-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C#N)OC2=CC=C(C=C2)F |
Product Overview
2-Fluoro-6-(4-fluorophenoxy)benzonitrile (CAS 175204-07-6), with molecular formula C13H7F2NO and molecular weight 231.05 g/mol. IUPAC: 2-fluoro-6-(4-fluorophenoxy)benzonitrile.
Chemical Property Profile of 2-Fluoro-6-(4-fluorophenoxy)benzonitrile
Property Insights of 2-Fluoro-6-(4-fluorophenoxy)benzonitrile
The XLogP value of 3.62878 indicates that 2-Fluoro-6-(4-fluorophenoxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 2-Fluoro-6-(4-fluorophenoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-6-(4-fluorophenoxy)benzonitrile 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-Fluoro-6-(4-fluorophenoxy)benzonitrile?
The CAS number of 2-Fluoro-6-(4-fluorophenoxy)benzonitrile is 175204-07-6.
What is the molecular formula of 2-Fluoro-6-(4-fluorophenoxy)benzonitrile?
The molecular formula of 2-Fluoro-6-(4-fluorophenoxy)benzonitrile is C13H7F2NO.
What is the molecular weight of 2-Fluoro-6-(4-fluorophenoxy)benzonitrile?
The molecular weight of 2-Fluoro-6-(4-fluorophenoxy)benzonitrile is 231.05 g/mol.
Where can I buy 2-Fluoro-6-(4-fluorophenoxy)benzonitrile?
You can request a quote for 2-Fluoro-6-(4-fluorophenoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-6-(4-fluorophenoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-6-(4-fluorophenoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.