3-Fluoropropionitrile
TL;DR: 3-Fluoropropionitrile (CAS 504-62-1) is a chemical compound with molecular formula C3H4FN and molecular weight 73.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoropropanenitrile
Also Known As: 3-fluoropropanenitrile, 3-Fluoropropionitrile, Propionitrile, 3-fluoro-, 4-02-00-00734 (Beilstein Handbook Reference), J2.819.735G
| Molecular Formula | C3H4FN |
|---|---|
| Molecular Weight | 73.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 73.032776 |
| Heavy Atoms | 5 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 504-62-1 |
|---|---|
| SMILES | C(CF)C#N |
| InChIKey | UBAVIHIGWASOOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Fluoropropionitrile (CAS 504-62-1), with molecular formula C3H4FN and molecular weight 73.03 g/mol. IUPAC: 3-fluoropropanenitrile.
Chemical Property Profile of 3-Fluoropropionitrile
Property Insights of 3-Fluoropropionitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoropropionitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 3-Fluoropropionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoropropionitrile 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
Frequently Asked Questions
What is the CAS number of 3-Fluoropropionitrile?
The CAS number of 3-Fluoropropionitrile is 504-62-1.
What is the molecular formula of 3-Fluoropropionitrile?
The molecular formula of 3-Fluoropropionitrile is C3H4FN.
What is the molecular weight of 3-Fluoropropionitrile?
The molecular weight of 3-Fluoropropionitrile is 73.03 g/mol.
Where can I buy 3-Fluoropropionitrile?
You can request a quote for 3-Fluoropropionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoropropionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoropropionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.