三氟乙酸乙酯
TL;DR: 三氟乙酸乙酯 (CAS 383-63-1) is a chemical compound with molecular formula C4H5F3O2 and molecular weight 142.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氟乙酸乙酯
ethyl 2,2,2-trifluoroacetate
Also Known As: ETHYL TRIFLUOROACETATE, ethyl 2,2,2-trifluoroacetate, Trifluoroacetic acid ethyl ester, Ethyl trifluoroethanoate, ethyltrifluoroacetate
| Molecular Formula | C4H5F3O2 |
|---|---|
| Molecular Weight | 142.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.02417 |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
| Vapor Pressure | 196.0 [mmHg] |
Chemical Identifiers
| CAS Number | 383-63-1 |
|---|---|
| SMILES | CCOC(=O)C(F)(F)F |
| InChIKey | STSCVKRWJPWALQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氟乙酸乙酯 (CAS 383-63-1), with molecular formula C4H5F3O2 and molecular weight 142.02 g/mol. IUPAC: ethyl 2,2,2-trifluoroacetate.
Chemical Property Profile of 三氟乙酸乙酯
Property Insights of 三氟乙酸乙酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氟乙酸乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 三氟乙酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氟乙酸乙酯 has 0 hydrogen bond donor(s) and 5 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 三氟乙酸乙酯?
The CAS number of 三氟乙酸乙酯 is 383-63-1.
What is the molecular formula of 三氟乙酸乙酯?
The molecular formula of 三氟乙酸乙酯 is C4H5F3O2.
What is the molecular weight of 三氟乙酸乙酯?
The molecular weight of 三氟乙酸乙酯 is 142.02 g/mol.
Where can I buy 三氟乙酸乙酯?
You can request a quote for 三氟乙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氟乙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 三氟乙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.