2-(3-Fluorophenyl)benzonitrile
TL;DR: 2-(3-Fluorophenyl)benzonitrile (CAS 1352318-38-7) is a chemical compound with molecular formula C13H8FN and molecular weight 197.06407 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-fluorophenyl)benzonitrile
Also Known As: 2-(3-Fluorophenyl)benzonitrile, 1-(Benzyloxy)-4-(3-fluorophenyl)benzene, 3'-Fluoro[1,1'-biphenyl]-2-carbonitrile, B-8492
Technical Specifications
| Molecular Formula | C13H8FN |
| Molecular Weight | 197.06407 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.06407 Da |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
| SMILES | C1=CC=C(C(=C1)C#N)C2=CC(=CC=C2)F |
| InChIKey | TWLRDJROKMCJIU-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Fluorophenyl)benzonitrile
Property Insights of 2-(3-Fluorophenyl)benzonitrile
The XLogP value of 3.6 indicates that 2-(3-Fluorophenyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-(3-Fluorophenyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Fluorophenyl)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
What is the CAS number of 2-(3-Fluorophenyl)benzonitrile?
The CAS number of 2-(3-Fluorophenyl)benzonitrile is 1352318-38-7.
What is the molecular formula of 2-(3-Fluorophenyl)benzonitrile?
The molecular formula of 2-(3-Fluorophenyl)benzonitrile is C13H8FN.
What is the molecular weight of 2-(3-Fluorophenyl)benzonitrile?
The molecular weight of 2-(3-Fluorophenyl)benzonitrile is 197.06407 g/mol.
Where can I buy 2-(3-Fluorophenyl)benzonitrile?
You can request a quote for 2-(3-Fluorophenyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Fluorophenyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(3-Fluorophenyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.