Butyl 2,2-difluoroacetate
TL;DR: Butyl 2,2-difluoroacetate (CAS 368-35-4) is a chemical compound with molecular formula C6H10F2O2 and molecular weight 152.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,2-difluoroacetate
Also Known As: butyl 2,2-difluoroacetate, butyl difluoroacetate, n-Butyl difluoroacetate, BUTYL-2,2-DIFLUOROACETATE, difluoro-acetic acid butyl ester
| Molecular Formula | C6H10F2O2 |
|---|---|
| Molecular Weight | 152.06 g/mol |
| LogP | 1.5948 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 152.06488 |
| Heavy Atoms | 10 |
| Complexity | 103.92094 |
Chemical Identifiers
| CAS Number | 368-35-4 |
|---|---|
| SMILES | CCCCOC(=O)C(F)F |
Product Overview
Butyl 2,2-difluoroacetate (CAS 368-35-4), with molecular formula C6H10F2O2 and molecular weight 152.06 g/mol. IUPAC: butyl 2,2-difluoroacetate.
Chemical Property Profile of Butyl 2,2-difluoroacetate
Property Insights of Butyl 2,2-difluoroacetate
The XLogP value of 1.5948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2,2-difluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 2,2-difluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2,2-difluoroacetate 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 Butyl 2,2-difluoroacetate?
The CAS number of Butyl 2,2-difluoroacetate is 368-35-4.
What is the molecular formula of Butyl 2,2-difluoroacetate?
The molecular formula of Butyl 2,2-difluoroacetate is C6H10F2O2.
What is the molecular weight of Butyl 2,2-difluoroacetate?
The molecular weight of Butyl 2,2-difluoroacetate is 152.06 g/mol.
Where can I buy Butyl 2,2-difluoroacetate?
You can request a quote for Butyl 2,2-difluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2,2-difluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2,2-difluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.