1-Fluoropropenenitrile
TL;DR: 1-Fluoropropenenitrile (CAS 430-49-9) is a chemical compound with molecular formula C3H2FN and molecular weight 71.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-fluoroprop-2-enenitrile
Also Known As: 1-Fluoropropenenitrile, (E)-3-fluoroprop-2-enenitrile
| Molecular Formula | C3H2FN |
|---|---|
| Molecular Weight | 71.02 g/mol |
| LogP | 0.99318 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 71.01713 |
| Heavy Atoms | 5 |
| Complexity | 69.45248 |
Chemical Identifiers
| CAS Number | 430-49-9 |
|---|---|
| SMILES | C(=C/F)\C#N |
Product Overview
1-Fluoropropenenitrile (CAS 430-49-9), with molecular formula C3H2FN and molecular weight 71.02 g/mol. IUPAC: (E)-3-fluoroprop-2-enenitrile.
Chemical Property Profile of 1-Fluoropropenenitrile
Property Insights of 1-Fluoropropenenitrile
The XLogP value of 0.99318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoropropenenitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 1-Fluoropropenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoropropenenitrile has 0 hydrogen bond donor(s) and 1 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 1-Fluoropropenenitrile?
The CAS number of 1-Fluoropropenenitrile is 430-49-9.
What is the molecular formula of 1-Fluoropropenenitrile?
The molecular formula of 1-Fluoropropenenitrile is C3H2FN.
What is the molecular weight of 1-Fluoropropenenitrile?
The molecular weight of 1-Fluoropropenenitrile is 71.02 g/mol.
Where can I buy 1-Fluoropropenenitrile?
You can request a quote for 1-Fluoropropenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Fluoropropenenitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoropropenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.