2-Fluorobuta-1,3-diene
TL;DR: 2-Fluorobuta-1,3-diene (CAS 381-61-3) is a chemical compound with molecular formula C4H5F and molecular weight 72.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluorobuta-1,3-diene
Also Known As: Fluoroprene, 2-fluorobuta-1,3-diene, 2-Fluoro-1,3-butadiene, 2-fluoro-1:3-butadiene, 1,3-Butadiene, 2-fluoro-
| Molecular Formula | C4H5F |
|---|---|
| Molecular Weight | 72.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 72.03753 |
| Heavy Atoms | 5 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 381-61-3 |
|---|---|
| SMILES | C=CC(=C)F |
| InChIKey | BQHQZFUAEAVJRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluorobuta-1,3-diene (CAS 381-61-3), with molecular formula C4H5F and molecular weight 72.04 g/mol. IUPAC: 2-fluorobuta-1,3-diene.
Chemical Property Profile of 2-Fluorobuta-1,3-diene
Property Insights of 2-Fluorobuta-1,3-diene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluorobuta-1,3-diene. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Fluorobuta-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluorobuta-1,3-diene 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-Fluorobuta-1,3-diene?
The CAS number of 2-Fluorobuta-1,3-diene is 381-61-3.
What is the molecular formula of 2-Fluorobuta-1,3-diene?
The molecular formula of 2-Fluorobuta-1,3-diene is C4H5F.
What is the molecular weight of 2-Fluorobuta-1,3-diene?
The molecular weight of 2-Fluorobuta-1,3-diene is 72.04 g/mol.
Where can I buy 2-Fluorobuta-1,3-diene?
You can request a quote for 2-Fluorobuta-1,3-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluorobuta-1,3-diene?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluorobuta-1,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.