Methyl 3,3,3-trifluoro-2-oxopropanoate
TL;DR: Methyl 3,3,3-trifluoro-2-oxopropanoate (CAS 167951-80-6) is a chemical compound with molecular formula C4H3F3O3 and molecular weight 156.00343 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3,3,3-trifluoro-2-oxopropanoate
Also Known As: Methyl Trifluoropyruvate, methyl 3,3,3-trifluoro-2-oxopropanoate, Methyl 3,3,3-trifluoropyruvate, methyltrifluoropyruvate, Trifluoropyruvic Acid Methyl Ester
Technical Specifications
| Molecular Formula | C4H3F3O3 |
| Molecular Weight | 156.00343 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.00343 Da |
| Heavy Atoms | 10 |
| Complexity | 160.0 |
| SMILES | COC(=O)C(=O)C(F)(F)F |
| InChIKey | XGLLQDIWQRQROJ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3,3,3-trifluoro-2-oxopropanoate
Property Insights of Methyl 3,3,3-trifluoro-2-oxopropanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,3,3-trifluoro-2-oxopropanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 3,3,3-trifluoro-2-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,3,3-trifluoro-2-oxopropanoate has 0 hydrogen bond donor(s) and 6 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 3,3,3-trifluoro-2-oxopropanoate?
The CAS number of Methyl 3,3,3-trifluoro-2-oxopropanoate is 167951-80-6.
What is the molecular formula of Methyl 3,3,3-trifluoro-2-oxopropanoate?
The molecular formula of Methyl 3,3,3-trifluoro-2-oxopropanoate is C4H3F3O3.
What is the molecular weight of Methyl 3,3,3-trifluoro-2-oxopropanoate?
The molecular weight of Methyl 3,3,3-trifluoro-2-oxopropanoate is 156.00343 g/mol.
Where can I buy Methyl 3,3,3-trifluoro-2-oxopropanoate?
You can request a quote for Methyl 3,3,3-trifluoro-2-oxopropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3,3,3-trifluoro-2-oxopropanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3,3,3-trifluoro-2-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.