![1-Chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol structure](/static/products/6963/6963-00-4.webp)
1-Chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol
TL;DR: 1-Chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol (CAS 6963-00-4) is a chemical compound with molecular formula C5H6Cl2F4O and molecular weight 227.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol
Also Known As: 1-chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol, 2-Butanol,1-chloro-2-(chlorodifluoromethyl)-1,1-difluoro-, 1-Chloro-2-[chlorodi(fluoro)methyl]-1,1-difluorobutan-2-ol, 1-CHLORO-2-(CHLORODIFLUOROMETHYL)-1,1-DIFLUOROBUTAN-2-OL
| Molecular Formula | C5H6Cl2F4O |
|---|---|
| Molecular Weight | 227.97 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.97319 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 6963-00-4 |
|---|---|
| SMILES | CCC(C(F)(F)Cl)(C(F)(F)Cl)O |
| InChIKey | IDTLFQSFTJHEAE-UHFFFAOYSA-N |
Product Overview
1-Chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol (CAS 6963-00-4), with molecular formula C5H6Cl2F4O and molecular weight 227.97 g/mol. IUPAC: 1-chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol.
Chemical Property Profile of 1-Chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol
Property Insights of 1-Chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol
The XLogP value of 3.0 indicates that 1-Chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol has 1 hydrogen bond donor(s) and 5 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-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol?
The CAS number of 1-Chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol is 6963-00-4.
What is the molecular formula of 1-Chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol?
The molecular formula of 1-Chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol is C5H6Cl2F4O.
What is the molecular weight of 1-Chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol?
The molecular weight of 1-Chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol is 227.97 g/mol.
Where can I buy 1-Chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol?
You can request a quote for 1-Chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.