3,3-Difluoroallyl acetate
TL;DR: 3,3-Difluoroallyl acetate (CAS 1597-40-6) is a chemical compound with molecular formula C5H6F2O2 and molecular weight 136.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-difluoroprop-2-enyl acetate
Also Known As: 3,3-Difluoroallyl acetate, 3,3-Difluoro-2-propenyl acetate, 3,3-difluoroprop-2-enyl acetate, 3,3-Difluoro-2-propen-1-ol acetate, 3,3-Difluoroprop-2-en-1-yl acetate
| Molecular Formula | C5H6F2O2 |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.03358 |
| Heavy Atoms | 9 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 1597-40-6 |
|---|---|
| SMILES | CC(=O)OCC=C(F)F |
| InChIKey | SFMCWVFEKGYGMH-UHFFFAOYSA-N |
Product Overview
3,3-Difluoroallyl acetate (CAS 1597-40-6), with molecular formula C5H6F2O2 and molecular weight 136.03 g/mol. IUPAC: 3,3-difluoroprop-2-enyl acetate.
Chemical Property Profile of 3,3-Difluoroallyl acetate
Property Insights of 3,3-Difluoroallyl acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Difluoroallyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3,3-Difluoroallyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Difluoroallyl acetate has 0 hydrogen bond donor(s) and 4 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 3,3-Difluoroallyl acetate?
The CAS number of 3,3-Difluoroallyl acetate is 1597-40-6.
What is the molecular formula of 3,3-Difluoroallyl acetate?
The molecular formula of 3,3-Difluoroallyl acetate is C5H6F2O2.
What is the molecular weight of 3,3-Difluoroallyl acetate?
The molecular weight of 3,3-Difluoroallyl acetate is 136.03 g/mol.
Where can I buy 3,3-Difluoroallyl acetate?
You can request a quote for 3,3-Difluoroallyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Difluoroallyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Difluoroallyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.