Acetic acid, fluoro-, allyl ester
TL;DR: Acetic acid, fluoro-, allyl ester (CAS 406-23-5) is a chemical compound with molecular formula C5H7FO2 and molecular weight 118.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-fluoroacetate
Also Known As: Allyl fluoroacetate, Fluoroacetic acid allyl ester, Fluoroaceticacidallylester, Allylester kyseliny fluoroctove, Fluor-essigsaeure-allylester
| Molecular Formula | C5H7FO2 |
|---|---|
| Molecular Weight | 118.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 118.04301 |
| Heavy Atoms | 8 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 406-23-5 |
|---|---|
| SMILES | C=CCOC(=O)CF |
| InChIKey | KPJCWOXNYPYSPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, fluoro-, allyl ester (CAS 406-23-5), with molecular formula C5H7FO2 and molecular weight 118.04 g/mol. IUPAC: prop-2-enyl 2-fluoroacetate.
Chemical Property Profile of Acetic acid, fluoro-, allyl ester
Property Insights of Acetic acid, fluoro-, allyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, fluoro-, allyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, fluoro-, allyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, fluoro-, allyl ester 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 Acetic acid, fluoro-, allyl ester?
The CAS number of Acetic acid, fluoro-, allyl ester is 406-23-5.
What is the molecular formula of Acetic acid, fluoro-, allyl ester?
The molecular formula of Acetic acid, fluoro-, allyl ester is C5H7FO2.
What is the molecular weight of Acetic acid, fluoro-, allyl ester?
The molecular weight of Acetic acid, fluoro-, allyl ester is 118.04 g/mol.
Where can I buy Acetic acid, fluoro-, allyl ester?
You can request a quote for Acetic acid, fluoro-, allyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, fluoro-, allyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, fluoro-, allyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.