2-(4-Fluorophenyl)propanenitrile
TL;DR: 2-(4-Fluorophenyl)propanenitrile (CAS 51965-61-8) is a chemical compound with molecular formula C9H8FN and molecular weight 149.06407 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-fluorophenyl)propanenitrile
Also Known As: 2-(4-Fluorophenyl)propanenitrile, 2-(4-Fluorophenyl)propiononitrile, 2-(4-fluorophenyl)propanonitrile, 2-(4-Fluorophenyl)propanenitrile #, p-Fluoro-alpha-methylphenylacetonitrile
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8FN |
| Molecular Weight | 149.06407 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.06407 Da |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
| SMILES | CC(C#N)C1=CC=C(C=C1)F |
| InChIKey | JPTHCYFZRSLQMW-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Fluorophenyl)propanenitrile
Property Insights of 2-(4-Fluorophenyl)propanenitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Fluorophenyl)propanenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-(4-Fluorophenyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)propanenitrile 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-(4-Fluorophenyl)propanenitrile?
The CAS number of 2-(4-Fluorophenyl)propanenitrile is 51965-61-8.
What is the molecular formula of 2-(4-Fluorophenyl)propanenitrile?
The molecular formula of 2-(4-Fluorophenyl)propanenitrile is C9H8FN.
What is the molecular weight of 2-(4-Fluorophenyl)propanenitrile?
The molecular weight of 2-(4-Fluorophenyl)propanenitrile is 149.06407 g/mol.
Where can I buy 2-(4-Fluorophenyl)propanenitrile?
You can request a quote for 2-(4-Fluorophenyl)propanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Fluorophenyl)propanenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(4-Fluorophenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.