Propiolic acid, fluoro-, ethyl ester
TL;DR: Propiolic acid, fluoro-, ethyl ester (CAS 102128-71-2) is a chemical compound with molecular formula C5H5FO2 and molecular weight 116.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-fluoroprop-2-ynoate
Also Known As: Ethyl fluoropropiolate, ethyl 3-fluoroprop-2-ynoate, Ethyl 3-fluoropropiolate, Propiolic acid, fluoro-, ethyl ester, RefChem:374878
| Molecular Formula | C5H5FO2 |
|---|---|
| Molecular Weight | 116.03 g/mol |
| LogP | 0.4799 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 116.02736 |
| Heavy Atoms | 8 |
| Complexity | 131.09943 |
Chemical Identifiers
| CAS Number | 102128-71-2 |
|---|---|
| SMILES | CCOC(=O)C#CF |
Product Overview
Propiolic acid, fluoro-, ethyl ester (CAS 102128-71-2), with molecular formula C5H5FO2 and molecular weight 116.03 g/mol. IUPAC: ethyl 3-fluoroprop-2-ynoate.
Chemical Property Profile of Propiolic acid, fluoro-, ethyl ester
Property Insights of Propiolic acid, fluoro-, ethyl ester
The XLogP value of 0.4799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propiolic acid, fluoro-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propiolic acid, fluoro-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propiolic acid, fluoro-, ethyl ester has 0 hydrogen bond donor(s) and 2 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 Propiolic acid, fluoro-, ethyl ester?
The CAS number of Propiolic acid, fluoro-, ethyl ester is 102128-71-2.
What is the molecular formula of Propiolic acid, fluoro-, ethyl ester?
The molecular formula of Propiolic acid, fluoro-, ethyl ester is C5H5FO2.
What is the molecular weight of Propiolic acid, fluoro-, ethyl ester?
The molecular weight of Propiolic acid, fluoro-, ethyl ester is 116.03 g/mol.
Where can I buy Propiolic acid, fluoro-, ethyl ester?
You can request a quote for Propiolic acid, fluoro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propiolic acid, fluoro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propiolic acid, fluoro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.