3-Fluorophenethylisocyanide
TL;DR: 3-Fluorophenethylisocyanide (CAS 25468-87-5) is a chemical compound with molecular formula C9H8FN and molecular weight 149.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-3-(2-isocyanoethyl)benzene
Also Known As: 1-fluoro-3-(2-isocyanoethyl)benzene, 3-Fluorophenethylisocyanide, 3- propanenitrile, 3-fluorophenethyl isocyanide, Benzene,1-fluoro-3-(2-isocyanoethyl)-
| Molecular Formula | C9H8FN |
|---|---|
| Molecular Weight | 149.06 g/mol |
| LogP | 2.28749 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.06407 |
| Heavy Atoms | 11 |
| Complexity | 275.13638 |
Chemical Identifiers
| CAS Number | 25468-87-5 |
|---|---|
| SMILES | [C-]#[N+]CCC1=CC(=CC=C1)F |
Product Overview
3-Fluorophenethylisocyanide (CAS 25468-87-5), with molecular formula C9H8FN and molecular weight 149.06 g/mol. IUPAC: 1-fluoro-3-(2-isocyanoethyl)benzene.
Chemical Property Profile of 3-Fluorophenethylisocyanide
Property Insights of 3-Fluorophenethylisocyanide
The XLogP value of 2.28749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluorophenethylisocyanide. With a topological polar surface area (TPSA) of 4.36 Ų, 3-Fluorophenethylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluorophenethylisocyanide 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 3-Fluorophenethylisocyanide?
The CAS number of 3-Fluorophenethylisocyanide is 25468-87-5.
What is the molecular formula of 3-Fluorophenethylisocyanide?
The molecular formula of 3-Fluorophenethylisocyanide is C9H8FN.
What is the molecular weight of 3-Fluorophenethylisocyanide?
The molecular weight of 3-Fluorophenethylisocyanide is 149.06 g/mol.
Where can I buy 3-Fluorophenethylisocyanide?
You can request a quote for 3-Fluorophenethylisocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluorophenethylisocyanide?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluorophenethylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.