1,1-Difluoropropan-2-one
TL;DR: 1,1-Difluoropropan-2-one (CAS 431-05-0) is a chemical compound with molecular formula C3H4F2O and molecular weight 94.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-difluoropropan-2-one
Also Known As: 1,1-difluoroacetone, 1,1-difluoropropan-2-one, 1,1-Difluoro-2-propanone, Difluorazeton, 1,1-Difluoro-propan-2-one
| Molecular Formula | C3H4F2O |
|---|---|
| Molecular Weight | 94.02 g/mol |
| LogP | 0.8405 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 94.02302 |
| Heavy Atoms | 6 |
| Complexity | 59.813538 |
Chemical Identifiers
| CAS Number | 431-05-0 |
|---|---|
| SMILES | CC(=O)C(F)F |
Product Overview
1,1-Difluoropropan-2-one (CAS 431-05-0), with molecular formula C3H4F2O and molecular weight 94.02 g/mol. IUPAC: 1,1-difluoropropan-2-one.
Chemical Property Profile of 1,1-Difluoropropan-2-one
Property Insights of 1,1-Difluoropropan-2-one
The XLogP value of 0.8405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Difluoropropan-2-one. With a topological polar surface area (TPSA) of 17.07 Ų, 1,1-Difluoropropan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Difluoropropan-2-one 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 1,1-Difluoropropan-2-one?
The CAS number of 1,1-Difluoropropan-2-one is 431-05-0.
What is the molecular formula of 1,1-Difluoropropan-2-one?
The molecular formula of 1,1-Difluoropropan-2-one is C3H4F2O.
What is the molecular weight of 1,1-Difluoropropan-2-one?
The molecular weight of 1,1-Difluoropropan-2-one is 94.02 g/mol.
Where can I buy 1,1-Difluoropropan-2-one?
You can request a quote for 1,1-Difluoropropan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Difluoropropan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Difluoropropan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.