氟乙酸氟乙酯
TL;DR: 氟乙酸氟乙酯 (CAS 459-99-4) is a chemical compound with molecular formula C4H6F2O2 and molecular weight 124.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟乙酸氟乙酯
2-fluoroethyl 2-fluoroacetate
Also Known As: 2-fluoroethyl 2-fluoroacetate, Fluoroethyl fluoroacetate, 2-FLUOROETHYL FLUOROACETATE, beta-Fluoroethyl fluoroacetate, Fluoroacetic acid 2-fluoroethyl ester
| Molecular Formula | C4H6F2O2 |
|---|---|
| Molecular Weight | 124.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 124.033585 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 459-99-4 |
|---|---|
| SMILES | C(CF)OC(=O)CF |
| InChIKey | ZIJVALRYXQXDOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟乙酸氟乙酯 (CAS 459-99-4), with molecular formula C4H6F2O2 and molecular weight 124.03 g/mol. IUPAC: 2-fluoroethyl 2-fluoroacetate.
Chemical Property Profile of 氟乙酸氟乙酯
Property Insights of 氟乙酸氟乙酯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氟乙酸氟乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 氟乙酸氟乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氟乙酸氟乙酯 has 0 hydrogen bond donor(s) and 4 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 氟乙酸氟乙酯?
The CAS number of 氟乙酸氟乙酯 is 459-99-4.
What is the molecular formula of 氟乙酸氟乙酯?
The molecular formula of 氟乙酸氟乙酯 is C4H6F2O2.
What is the molecular weight of 氟乙酸氟乙酯?
The molecular weight of 氟乙酸氟乙酯 is 124.03 g/mol.
Where can I buy 氟乙酸氟乙酯?
You can request a quote for 氟乙酸氟乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟乙酸氟乙酯?
Yes, KEHONG BIO provides custom synthesis services for 氟乙酸氟乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.