Ethyl 2-Fluoropropionate
TL;DR: Ethyl 2-Fluoropropionate (CAS 72959-94-5) is a chemical compound with molecular formula C5H9FO2 and molecular weight 120.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-fluoropropanoate
Also Known As: Ethyl 2-Fluoropropionate, ethyl 2-fluoropropanoate, 2-Fluoropropionic Acid Ethyl Ester, Ethyl 2-Fluoro-propionate, Ethyl-2-fluoropropionate
| Molecular Formula | C5H9FO2 |
|---|---|
| Molecular Weight | 120.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 120.058655 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 72959-94-5 |
|---|---|
| SMILES | CCOC(=O)C(C)F |
| InChIKey | ODMITNOQNBVSQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-Fluoropropionate (CAS 72959-94-5), with molecular formula C5H9FO2 and molecular weight 120.06 g/mol. IUPAC: ethyl 2-fluoropropanoate.
Chemical Property Profile of Ethyl 2-Fluoropropionate
Property Insights of Ethyl 2-Fluoropropionate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-Fluoropropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-Fluoropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-Fluoropropionate 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 2-Fluoropropionate?
The CAS number of Ethyl 2-Fluoropropionate is 72959-94-5.
What is the molecular formula of Ethyl 2-Fluoropropionate?
The molecular formula of Ethyl 2-Fluoropropionate is C5H9FO2.
What is the molecular weight of Ethyl 2-Fluoropropionate?
The molecular weight of Ethyl 2-Fluoropropionate is 120.06 g/mol.
Where can I buy Ethyl 2-Fluoropropionate?
You can request a quote for Ethyl 2-Fluoropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-Fluoropropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-Fluoropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.