1-Chloro-1,1-difluorohexan-2-one
TL;DR: 1-Chloro-1,1-difluorohexan-2-one (CAS 6963-20-8) is a chemical compound with molecular formula C6H9ClF2O and molecular weight 170.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-1,1-difluorohexan-2-one
Also Known As: 1-chloro-1,1-difluorohexan-2-one, 2-Hexanone,1-chloro-1,1-difluoro-, 1-CHLORO-1,1-DIFLUORO-HEXAN-2-ONE
| Molecular Formula | C6H9ClF2O |
|---|---|
| Molecular Weight | 170.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.031 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 6963-20-8 |
|---|---|
| SMILES | CCCCC(=O)C(F)(F)Cl |
| InChIKey | RMIIWSVYLUETRK-UHFFFAOYSA-N |
Product Overview
1-Chloro-1,1-difluorohexan-2-one (CAS 6963-20-8), with molecular formula C6H9ClF2O and molecular weight 170.03 g/mol. IUPAC: 1-chloro-1,1-difluorohexan-2-one.
Chemical Property Profile of 1-Chloro-1,1-difluorohexan-2-one
Property Insights of 1-Chloro-1,1-difluorohexan-2-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-1,1-difluorohexan-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Chloro-1,1-difluorohexan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-1,1-difluorohexan-2-one 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-Chloro-1,1-difluorohexan-2-one?
The CAS number of 1-Chloro-1,1-difluorohexan-2-one is 6963-20-8.
What is the molecular formula of 1-Chloro-1,1-difluorohexan-2-one?
The molecular formula of 1-Chloro-1,1-difluorohexan-2-one is C6H9ClF2O.
What is the molecular weight of 1-Chloro-1,1-difluorohexan-2-one?
The molecular weight of 1-Chloro-1,1-difluorohexan-2-one is 170.03 g/mol.
Where can I buy 1-Chloro-1,1-difluorohexan-2-one?
You can request a quote for 1-Chloro-1,1-difluorohexan-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-Chloro-1,1-difluorohexan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-1,1-difluorohexan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.