tert-Butyl chlorodifluoroacetate
TL;DR: tert-Butyl chlorodifluoroacetate (CAS 167308-43-2) is a chemical compound with molecular formula C6H9ClF2O2 and molecular weight 186.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-chloro-2,2-difluoroacetate
Also Known As: tert-Butyl chlorodifluoroacetate, t-Butyl chlorodifluoroacetate, tert-butyl 2-chloro-2,2-difluoroacetate, tert-Butyl chloro(difluoro)acetate, tert-Butyl chlorodi(fluoro)acetate
| Molecular Formula | C6H9ClF2O2 |
|---|---|
| Molecular Weight | 186.03 g/mol |
| LogP | 2.1597 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.02591 |
| Heavy Atoms | 11 |
| Complexity | 156.94566 |
Chemical Identifiers
| CAS Number | 167308-43-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(F)(F)Cl |
Product Overview
tert-Butyl chlorodifluoroacetate (CAS 167308-43-2), with molecular formula C6H9ClF2O2 and molecular weight 186.03 g/mol. IUPAC: tert-butyl 2-chloro-2,2-difluoroacetate.
Chemical Property Profile of tert-Butyl chlorodifluoroacetate
Property Insights of tert-Butyl chlorodifluoroacetate
The XLogP value of 2.1597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl chlorodifluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, tert-Butyl chlorodifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl chlorodifluoroacetate has 0 hydrogen bond donor(s) and 2 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 tert-Butyl chlorodifluoroacetate?
The CAS number of tert-Butyl chlorodifluoroacetate is 167308-43-2.
What is the molecular formula of tert-Butyl chlorodifluoroacetate?
The molecular formula of tert-Butyl chlorodifluoroacetate is C6H9ClF2O2.
What is the molecular weight of tert-Butyl chlorodifluoroacetate?
The molecular weight of tert-Butyl chlorodifluoroacetate is 186.03 g/mol.
Where can I buy tert-Butyl chlorodifluoroacetate?
You can request a quote for tert-Butyl chlorodifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl chlorodifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl chlorodifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.