Ethyl trifluoroacetate
TL;DR: Ethyl trifluoroacetate (CAS 383-63-1) is a chemical compound with molecular formula C4H5F3O2 and molecular weight 142.02417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2,2,2-trifluoroacetate
Also Known As: ETHYL TRIFLUOROACETATE, ethyl 2,2,2-trifluoroacetate, Trifluoroacetic acid ethyl ester, Ethyl trifluoroethanoate, ethyltrifluoroacetate
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H5F3O2 |
| Molecular Weight | 142.02417 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.02417 Da |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
| Vapor Pressure | 196.0 [mmHg] |
| SMILES | CCOC(=O)C(F)(F)F |
| InChIKey | STSCVKRWJPWALQ-UHFFFAOYSA-N |
Product Description
Applications: Ethyl trifluoroacetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl trifluoroacetate (CAS 383-63-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Ethyl trifluoroacetate (CAS 383-63-1) has the molecular formula C4H5F3O2 and a molecular weight of 142.02 g/mol. It is also known as ETHYL TRIFLUOROACETATE and ethyl 2,2,2-trifluoroacetate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ethyl trifluoroacetate
Property Insights of Ethyl trifluoroacetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl trifluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl trifluoroacetate 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
What is the CAS number of Ethyl trifluoroacetate?
The CAS number of Ethyl trifluoroacetate is 383-63-1.
What is the molecular formula of Ethyl trifluoroacetate?
The molecular formula of Ethyl trifluoroacetate is C4H5F3O2.
What is the molecular weight of Ethyl trifluoroacetate?
The molecular weight of Ethyl trifluoroacetate is 142.02417 g/mol.
What are the applications of Ethyl trifluoroacetate?
Ethyl trifluoroacetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl trifluoroacetate (CAS...
Where can I buy Ethyl trifluoroacetate?
You can request a quote for Ethyl trifluoroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl trifluoroacetate?
Yes, CoreyChem provides custom synthesis services for Ethyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.