Ethyl difluoroacetate
TL;DR: Ethyl difluoroacetate (CAS 454-31-9) is a chemical compound with molecular formula C4H6F2O2 and molecular weight 124.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-difluoroacetate
Also Known As: ETHYL DIFLUOROACETATE, ethyl 2,2-difluoroacetate, ethyldifluoroacetate, ethyldifluoracetat, Ethyl difluoroacetic
| Molecular Formula | C4H6F2O2 |
|---|---|
| Molecular Weight | 124.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 124.033585 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 454-31-9 |
|---|---|
| SMILES | CCOC(=O)C(F)F |
| InChIKey | GZKHDVAKKLTJPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl difluoroacetate (CAS 454-31-9), with molecular formula C4H6F2O2 and molecular weight 124.03 g/mol. IUPAC: ethyl 2,2-difluoroacetate.
Chemical Property Profile of Ethyl difluoroacetate
Property Insights of Ethyl difluoroacetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl difluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl difluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl difluoroacetate has 0 hydrogen bond donor(s) and 4 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 Ethyl difluoroacetate?
The CAS number of Ethyl difluoroacetate is 454-31-9.
What is the molecular formula of Ethyl difluoroacetate?
The molecular formula of Ethyl difluoroacetate is C4H6F2O2.
What is the molecular weight of Ethyl difluoroacetate?
The molecular weight of Ethyl difluoroacetate is 124.03 g/mol.
Where can I buy Ethyl difluoroacetate?
You can request a quote for Ethyl difluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl difluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl difluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.