2-(2-Fluorophenoxy)benzonitrile
TL;DR: 2-(2-Fluorophenoxy)benzonitrile (CAS 156783-71-0) is a chemical compound with molecular formula C13H8FNO and molecular weight 213.05899 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-fluorophenoxy)benzonitrile
Also Known As: 2-(2-fluorophenoxy)benzonitrile, 2-(2-fluorophenoxy)benzenecarbonitrile, Bionet2_000638, 9P-005
Technical Specifications
| Molecular Formula | C13H8FNO |
| Molecular Weight | 213.05899 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.05899 Da |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
| SMILES | C1=CC=C(C(=C1)C#N)OC2=CC=CC=C2F |
| InChIKey | DKSKNOWZNGOGEY-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Fluorophenoxy)benzonitrile
Property Insights of 2-(2-Fluorophenoxy)benzonitrile
The XLogP value of 3.3 indicates that 2-(2-Fluorophenoxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 2-(2-Fluorophenoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Fluorophenoxy)benzonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(2-Fluorophenoxy)benzonitrile?
The CAS number of 2-(2-Fluorophenoxy)benzonitrile is 156783-71-0.
What is the molecular formula of 2-(2-Fluorophenoxy)benzonitrile?
The molecular formula of 2-(2-Fluorophenoxy)benzonitrile is C13H8FNO.
What is the molecular weight of 2-(2-Fluorophenoxy)benzonitrile?
The molecular weight of 2-(2-Fluorophenoxy)benzonitrile is 213.05899 g/mol.
Where can I buy 2-(2-Fluorophenoxy)benzonitrile?
You can request a quote for 2-(2-Fluorophenoxy)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Fluorophenoxy)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(2-Fluorophenoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.