Ethyl fluoroacetate
TL;DR: Ethyl fluoroacetate (CAS 459-72-3) is a chemical compound with molecular formula C4H7FO2 and molecular weight 106.04301 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-fluoroacetate
Also Known As: ETHYL FLUOROACETATE, ethyl 2-fluoroacetate, Ethyl monofluoroacetate, Acetic acid, fluoro-, ethyl ester, ETHYLFLUOROACETATE
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H7FO2 |
| Molecular Weight | 106.04301 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 106.04301 Da |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
| Boiling Point | 121.6 °C @ 758 MM HG |
| Density | 1.0926 @ 20.5 °C |
| Refractive Index | INDEX OF REFRACTION: 1.3767 @ 20.5 °C/D |
| Solubility | SOL IN WATER |
| SMILES | CCOC(=O)CF |
| InChIKey | VCYZVXRKYPKDQB-UHFFFAOYSA-N |
Product Description
Applications: Ethyl fluoroacetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Ethyl fluoroacetate is a heterocyclic building block identified by CAS number 459-72-3 and the molecular formula C4H7FO2 and a molecular weight of 106.04 g/mol. Physically, the compound has a density of 1.0926 @ 20.5 °C g/cm³, a solubility: SOL IN WATER. Synonyms include ETHYL FLUOROACETATE and ethyl 2-fluoroacetate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 106.04301 g/mol.
What are the applications of Ethyl fluoroacetate?
Ethyl fluoroacetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Ethyl fluoroacetate?
You can request a quote for Ethyl fluoroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl fluoroacetate?
Yes, CoreyChem provides custom synthesis services for Ethyl fluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.