Methyl trifluoroacetate
TL;DR: Methyl trifluoroacetate (CAS 431-47-0) is a chemical compound with molecular formula C3H3F3O2 and molecular weight 128.00851 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2,2,2-trifluoroacetate
Also Known As: METHYL TRIFLUOROACETATE, methyl 2,2,2-trifluoroacetate, Acetic acid, trifluoro-, methyl ester, methyltrifluoroacetate, Trifluoroacetic acid methyl ester
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H3F3O2 |
| Molecular Weight | 128.00851 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.00851 Da |
| Heavy Atoms | 8 |
| Complexity | 95.0 |
| Vapor Pressure | 538.0 [mmHg] |
| SMILES | COC(=O)C(F)(F)F |
| InChIKey | VMVNZNXAVJHNDJ-UHFFFAOYSA-N |
Product Description
Applications: Methyl 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 Methyl trifluoroacetate (CAS 431-47-0) 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, Methyl trifluoroacetate (CAS 431-47-0) has the molecular formula C3H3F3O2 and a molecular weight of 128.01 g/mol. It is also known as METHYL TRIFLUOROACETATE and methyl 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 Methyl trifluoroacetate
Property Insights of Methyl trifluoroacetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl trifluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl trifluoroacetate?
The CAS number of Methyl trifluoroacetate is 431-47-0.
What is the molecular formula of Methyl trifluoroacetate?
The molecular formula of Methyl trifluoroacetate is C3H3F3O2.
What is the molecular weight of Methyl trifluoroacetate?
The molecular weight of Methyl trifluoroacetate is 128.00851 g/mol.
What are the applications of Methyl trifluoroacetate?
Methyl 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 Methyl trifluoroacetate (CAS...
Where can I buy Methyl trifluoroacetate?
You can request a quote for Methyl trifluoroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl trifluoroacetate?
Yes, CoreyChem provides custom synthesis services for Methyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.