3-氟丙酸乙酯
TL;DR: 3-氟丙酸乙酯 (CAS 10117-10-9) 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.
3-氟丙酸乙酯
ethyl 3-fluoropropanoate
Also Known As: ethyl 3-fluoropropanoate, Ethyl 3-fluoropropionate, starbld0017116, 3-Fluoropropionic acid ethyl ester, Propanoic acid, 3-fluoro-, ethyl ester
| 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 | 4 |
| Exact Mass | 120.058655 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 10117-10-9 |
|---|---|
| SMILES | CCOC(=O)CCF |
| InChIKey | HGWFSORGJISSEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氟丙酸乙酯 (CAS 10117-10-9), with molecular formula C5H9FO2 and molecular weight 120.06 g/mol. IUPAC: ethyl 3-fluoropropanoate.
Chemical Property Profile of 3-氟丙酸乙酯
Property Insights of 3-氟丙酸乙酯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氟丙酸乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 3-氟丙酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氟丙酸乙酯 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 3-氟丙酸乙酯?
The CAS number of 3-氟丙酸乙酯 is 10117-10-9.
What is the molecular formula of 3-氟丙酸乙酯?
The molecular formula of 3-氟丙酸乙酯 is C5H9FO2.
What is the molecular weight of 3-氟丙酸乙酯?
The molecular weight of 3-氟丙酸乙酯 is 120.06 g/mol.
Where can I buy 3-氟丙酸乙酯?
You can request a quote for 3-氟丙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氟丙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 3-氟丙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.