4-Fluoro-3-iodobenzonitrile
TL;DR: 4-Fluoro-3-iodobenzonitrile (CAS 159719-57-0) is a chemical compound with molecular formula C7H3FIN and molecular weight 246.92941 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-fluoro-3-iodobenzonitrile
Also Known As: 4-Fluoro-3-iodobenzonitrile, 4-fluoro-3-iodo-benzonitrile, Benzonitrile, 4-fluoro-3-iodo-, 3-Iodo-4-fluorobenzonitrile, 4-fluoro-3-iodobenzenecarbonitrile
Technical Specifications
| Molecular Formula | C7H3FIN |
| Molecular Weight | 246.92941 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.92941 Da |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
| SMILES | C1=CC(=C(C=C1C#N)I)F |
| InChIKey | SXQVRZMBNRJTHU-UHFFFAOYSA-N |
Chemical Property Profile of 4-Fluoro-3-iodobenzonitrile
Property Insights of 4-Fluoro-3-iodobenzonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-3-iodobenzonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 4-Fluoro-3-iodobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-3-iodobenzonitrile 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 4-Fluoro-3-iodobenzonitrile?
The CAS number of 4-Fluoro-3-iodobenzonitrile is 159719-57-0.
What is the molecular formula of 4-Fluoro-3-iodobenzonitrile?
The molecular formula of 4-Fluoro-3-iodobenzonitrile is C7H3FIN.
What is the molecular weight of 4-Fluoro-3-iodobenzonitrile?
The molecular weight of 4-Fluoro-3-iodobenzonitrile is 246.92941 g/mol.
Where can I buy 4-Fluoro-3-iodobenzonitrile?
You can request a quote for 4-Fluoro-3-iodobenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Fluoro-3-iodobenzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-Fluoro-3-iodobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.