2-Fluoro-4-(4-methoxyphenyl)benzonitrile
TL;DR: 2-Fluoro-4-(4-methoxyphenyl)benzonitrile (CAS 123864-93-7) is a chemical compound with molecular formula C14H10FNO and molecular weight 227.07465 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-fluoro-4-(4-methoxyphenyl)benzonitrile
Also Known As: 2-fluoro-4-(4-methoxyphenyl)benzonitrile, 3-Fluoro-4'-methoxy[1,1'-biphenyl]-4-carbonitrile, 4-Cyano-3-fluoro-4'-methoxybiphenyl, 3-Fluoro-4'-methoxy-[1,1'-biphenyl]-4-carbonitrile, 3-Fluoro-4'-methoxy-4-biphenylcarbonitrile
Technical Specifications
| Molecular Formula | C14H10FNO |
| Molecular Weight | 227.07465 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 | 227.07465 Da |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
| SMILES | COC1=CC=C(C=C1)C2=CC(=C(C=C2)C#N)F |
| InChIKey | CBUDFMDIMMTHQP-UHFFFAOYSA-N |
Chemical Property Profile of 2-Fluoro-4-(4-methoxyphenyl)benzonitrile
Property Insights of 2-Fluoro-4-(4-methoxyphenyl)benzonitrile
The XLogP value of 3.3 indicates that 2-Fluoro-4-(4-methoxyphenyl)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-Fluoro-4-(4-methoxyphenyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-4-(4-methoxyphenyl)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-Fluoro-4-(4-methoxyphenyl)benzonitrile?
The CAS number of 2-Fluoro-4-(4-methoxyphenyl)benzonitrile is 123864-93-7.
What is the molecular formula of 2-Fluoro-4-(4-methoxyphenyl)benzonitrile?
The molecular formula of 2-Fluoro-4-(4-methoxyphenyl)benzonitrile is C14H10FNO.
What is the molecular weight of 2-Fluoro-4-(4-methoxyphenyl)benzonitrile?
The molecular weight of 2-Fluoro-4-(4-methoxyphenyl)benzonitrile is 227.07465 g/mol.
Where can I buy 2-Fluoro-4-(4-methoxyphenyl)benzonitrile?
You can request a quote for 2-Fluoro-4-(4-methoxyphenyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Fluoro-4-(4-methoxyphenyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Fluoro-4-(4-methoxyphenyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.