氟乙酸甲酯
TL;DR: 氟乙酸甲酯 (CAS 453-18-9) 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.
氟乙酸甲酯
methyl 2-fluoroacetate
Also Known As: Methyl fluoroacetate, methyl 2-fluoroacetate, Fluoroacetic Acid Methyl Ester, METHYLFLUOROACETATE, Fluoroacetic acid, methyl ester
| Molecular Formula | C3H5FO2 |
|---|---|
| Molecular Weight | 92.03 g/mol |
| LogP | 0.5 |
| 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 |
| Melting Point | -35 °C |
| Boiling Point | 104.5 °C |
| Density | 1.1744 at 20 °C; 1.1613 at 15 °C |
| Solubility | Soluble in water |
| Refractive Index | 1.3679 at 20 °C |
Chemical Identifiers
| CAS Number | 453-18-9 |
|---|---|
| SMILES | COC(=O)CF |
| InChIKey | RJBYSQHLLIHSLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟乙酸甲酯 (CAS 453-18-9), with molecular formula C3H5FO2 and molecular weight 92.03 g/mol. IUPAC: methyl 2-fluoroacetate.
Chemical Property Profile of 氟乙酸甲酯
Property Insights of 氟乙酸甲酯
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氟乙酸甲酯. With a topological polar surface area (TPSA) of 26.3 Ų, 氟乙酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氟乙酸甲酯 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 氟乙酸甲酯?
The CAS number of 氟乙酸甲酯 is 453-18-9.
What is the molecular formula of 氟乙酸甲酯?
The molecular formula of 氟乙酸甲酯 is C3H5FO2.
What is the molecular weight of 氟乙酸甲酯?
The molecular weight of 氟乙酸甲酯 is 92.03 g/mol.
Where can I buy 氟乙酸甲酯?
You can request a quote for 氟乙酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟乙酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 氟乙酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.