Ethyl fluoroacetate
TL;DR: Ethyl fluoroacetate (CAS 459-72-3) is a chemical compound with molecular formula C4H7FO2 and molecular weight 106.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-fluoroacetate
Also Known As: ETHYL FLUOROACETATE, ethyl 2-fluoroacetate, Ethyl monofluoroacetate, Acetic acid, fluoro-, ethyl ester, ETHYLFLUOROACETATE
| Molecular Formula | C4H7FO2 |
|---|---|
| Molecular Weight | 106.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 106.04301 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
| Boiling Point | 121.6 °C @ 758 MM HG |
| Density | 1.0926 @ 20.5 °C |
| Solubility | SOL IN WATER |
| Refractive Index | 1.3767 @ 20.5 °C |
Chemical Identifiers
| CAS Number | 459-72-3 |
|---|---|
| SMILES | CCOC(=O)CF |
| InChIKey | VCYZVXRKYPKDQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl fluoroacetate (CAS 459-72-3), with molecular formula C4H7FO2 and molecular weight 106.04 g/mol. IUPAC: ethyl 2-fluoroacetate.
Chemical Property Profile of Ethyl fluoroacetate
Property Insights of Ethyl fluoroacetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl fluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl fluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl fluoroacetate 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 Ethyl fluoroacetate?
The CAS number of Ethyl fluoroacetate is 459-72-3.
What is the molecular formula of Ethyl fluoroacetate?
The molecular formula of Ethyl fluoroacetate is C4H7FO2.
What is the molecular weight of Ethyl fluoroacetate?
The molecular weight of Ethyl fluoroacetate is 106.04 g/mol.
Where can I buy Ethyl fluoroacetate?
You can request a quote for Ethyl fluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl fluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl fluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.