Ethyl fluoroformate
TL;DR: Ethyl fluoroformate (CAS 461-64-3) is a chemical compound with molecular formula C3H5FO2 and molecular weight 92.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl carbonofluoridate
Also Known As: Ethyl fluoroformate, ethyl carbonofluoridate, Ethyl fluoridocarbonate, Fluoroformicacidethylester, Ethyl fluoridocarbonate #
| Molecular Formula | C3H5FO2 |
|---|---|
| Molecular Weight | 92.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 92.02736 |
| Heavy Atoms | 6 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 461-64-3 |
|---|---|
| SMILES | CCOC(=O)F |
| InChIKey | PWEHMQBAMSTRDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl fluoroformate (CAS 461-64-3), with molecular formula C3H5FO2 and molecular weight 92.03 g/mol. IUPAC: ethyl carbonofluoridate.
Chemical Property Profile of Ethyl fluoroformate
Property Insights of Ethyl fluoroformate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl fluoroformate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl fluoroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl fluoroformate 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 fluoroformate?
The CAS number of Ethyl fluoroformate is 461-64-3.
What is the molecular formula of Ethyl fluoroformate?
The molecular formula of Ethyl fluoroformate is C3H5FO2.
What is the molecular weight of Ethyl fluoroformate?
The molecular weight of Ethyl fluoroformate is 92.03 g/mol.
Where can I buy Ethyl fluoroformate?
You can request a quote for Ethyl fluoroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl fluoroformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl fluoroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.