1,3-Difluorotetrachloroacetone
TL;DR: 1,3-Difluorotetrachloroacetone (CAS 79-51-6) is a chemical compound with molecular formula C3Cl4F2O and molecular weight 229.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,3,3-tetrachloro-1,3-difluoropropan-2-one
Also Known As: 1,3-Difluorotetrachloroacetone, C3Cl4F2O, Difluorotetrachloroacetone, Tetrachlorodifluoroacetone, 1,1,3,3-tetrachloro-1,3-difluoropropan-2-one
| Molecular Formula | C3Cl4F2O |
|---|---|
| Molecular Weight | 229.87 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.86713 |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 79-51-6 |
|---|---|
| SMILES | C(=O)(C(F)(Cl)Cl)C(F)(Cl)Cl |
| InChIKey | MXYOKVCIXGJEFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Difluorotetrachloroacetone (CAS 79-51-6), with molecular formula C3Cl4F2O and molecular weight 229.87 g/mol. IUPAC: 1,1,3,3-tetrachloro-1,3-difluoropropan-2-one.
Chemical Property Profile of 1,3-Difluorotetrachloroacetone
Property Insights of 1,3-Difluorotetrachloroacetone
The XLogP value of 3.2 indicates that 1,3-Difluorotetrachloroacetone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,3-Difluorotetrachloroacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Difluorotetrachloroacetone has 0 hydrogen bond donor(s) and 3 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 1,3-Difluorotetrachloroacetone?
The CAS number of 1,3-Difluorotetrachloroacetone is 79-51-6.
What is the molecular formula of 1,3-Difluorotetrachloroacetone?
The molecular formula of 1,3-Difluorotetrachloroacetone is C3Cl4F2O.
What is the molecular weight of 1,3-Difluorotetrachloroacetone?
The molecular weight of 1,3-Difluorotetrachloroacetone is 229.87 g/mol.
Where can I buy 1,3-Difluorotetrachloroacetone?
You can request a quote for 1,3-Difluorotetrachloroacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Difluorotetrachloroacetone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Difluorotetrachloroacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.