2-Fluorophenylisocyanide
TL;DR: 2-Fluorophenylisocyanide (CAS 77897-04-2) is a chemical compound with molecular formula C7H4FN and molecular weight 121.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-2-isocyanobenzene
Also Known As: 1-fluoro-2-isocyanobenzene, 2-Fluorophenylisocyanide, 2-Fluorphenylisocyanide, 2-Fluorophenyl isocyanide, 1-fluoro-2-isocyano-benzene
| Molecular Formula | C7H4FN |
|---|---|
| Molecular Weight | 121.03 g/mol |
| LogP | 2.37649 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.032776 |
| Heavy Atoms | 9 |
| Complexity | 249.33821 |
Chemical Identifiers
| CAS Number | 77897-04-2 |
|---|---|
| SMILES | [C-]#[N+]C1=CC=CC=C1F |
Product Overview
2-Fluorophenylisocyanide (CAS 77897-04-2), with molecular formula C7H4FN and molecular weight 121.03 g/mol. IUPAC: 1-fluoro-2-isocyanobenzene.
Chemical Property Profile of 2-Fluorophenylisocyanide
Property Insights of 2-Fluorophenylisocyanide
The XLogP value of 2.37649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluorophenylisocyanide. With a topological polar surface area (TPSA) of 4.36 Ų, 2-Fluorophenylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluorophenylisocyanide has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Fluorophenylisocyanide?
The CAS number of 2-Fluorophenylisocyanide is 77897-04-2.
What is the molecular formula of 2-Fluorophenylisocyanide?
The molecular formula of 2-Fluorophenylisocyanide is C7H4FN.
What is the molecular weight of 2-Fluorophenylisocyanide?
The molecular weight of 2-Fluorophenylisocyanide is 121.03 g/mol.
Where can I buy 2-Fluorophenylisocyanide?
You can request a quote for 2-Fluorophenylisocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluorophenylisocyanide?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluorophenylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.