2-Fluoro-4-iodophenyl isocyanate
TL;DR: 2-Fluoro-4-iodophenyl isocyanate (CAS 139072-17-6) is a chemical compound with molecular formula C7H3FINO and molecular weight 262.92435 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-fluoro-4-iodo-1-isocyanatobenzene
Also Known As: 2-Fluoro-4-iodophenyl isocyanate, 2-fluoro-4-iodo-1-isocyanatobenzene, 4-Iodo-2-fluorophenyl isocyanate, 2-Fluoro-4-iodophenylisocyanate, 2-fluoro-4-iodo-1-isocyanato-benzene
Technical Specifications
| Molecular Formula | C7H3FINO |
| Molecular Weight | 262.92435 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.92435 Da |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
| SMILES | C1=CC(=C(C=C1I)F)N=C=O |
| InChIKey | VBRWSMMFMURCHF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Fluoro-4-iodophenyl isocyanate
Property Insights of 2-Fluoro-4-iodophenyl isocyanate
The XLogP value of 3.5 indicates that 2-Fluoro-4-iodophenyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, 2-Fluoro-4-iodophenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-4-iodophenyl isocyanate 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-iodophenyl isocyanate?
The CAS number of 2-Fluoro-4-iodophenyl isocyanate is 139072-17-6.
What is the molecular formula of 2-Fluoro-4-iodophenyl isocyanate?
The molecular formula of 2-Fluoro-4-iodophenyl isocyanate is C7H3FINO.
What is the molecular weight of 2-Fluoro-4-iodophenyl isocyanate?
The molecular weight of 2-Fluoro-4-iodophenyl isocyanate is 262.92435 g/mol.
Where can I buy 2-Fluoro-4-iodophenyl isocyanate?
You can request a quote for 2-Fluoro-4-iodophenyl isocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Fluoro-4-iodophenyl isocyanate?
Yes, CoreyChem provides custom synthesis services for 2-Fluoro-4-iodophenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.