2-Butynoyl fluoride
TL;DR: 2-Butynoyl fluoride (CAS 53620-27-2) is a chemical compound with molecular formula C4H3FO and molecular weight 86.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-ynoyl fluoride
Also Known As: 2-Butynoyl fluoride, But-2-ynoyl Fluoride, 2-Butynoylfluorid, InChI=1/C4H3FO/c1-2-3-4(5)6/h1H
| Molecular Formula | C4H3FO |
|---|---|
| Molecular Weight | 86.02 g/mol |
| LogP | 0.5058 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 86.01679 |
| Heavy Atoms | 6 |
| Complexity | 106.45183 |
Chemical Identifiers
| CAS Number | 53620-27-2 |
|---|---|
| SMILES | CC#CC(=O)F |
Product Overview
2-Butynoyl fluoride (CAS 53620-27-2), with molecular formula C4H3FO and molecular weight 86.02 g/mol. IUPAC: but-2-ynoyl fluoride.
Chemical Property Profile of 2-Butynoyl fluoride
Property Insights of 2-Butynoyl fluoride
The XLogP value of 0.5058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butynoyl fluoride. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Butynoyl fluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butynoyl fluoride 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 2-Butynoyl fluoride?
The CAS number of 2-Butynoyl fluoride is 53620-27-2.
What is the molecular formula of 2-Butynoyl fluoride?
The molecular formula of 2-Butynoyl fluoride is C4H3FO.
What is the molecular weight of 2-Butynoyl fluoride?
The molecular weight of 2-Butynoyl fluoride is 86.02 g/mol.
Where can I buy 2-Butynoyl fluoride?
You can request a quote for 2-Butynoyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butynoyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 2-Butynoyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.