Methyl 4-oxo-2-(trifluoromethyl)pentanoate
TL;DR: Methyl 4-oxo-2-(trifluoromethyl)pentanoate (CAS 139547-14-1) is a chemical compound with molecular formula C7H9F3O3 and molecular weight 198.05038 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-oxo-2-(trifluoromethyl)pentanoate
Also Known As: methyl 4-oxo-2-(trifluoromethyl)pentanoate
Technical Specifications
| Molecular Formula | C7H9F3O3 |
| Molecular Weight | 198.05038 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.05038 Da |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
| SMILES | CC(=O)CC(C(=O)OC)C(F)(F)F |
| InChIKey | OWBYLMZNJWFLEV-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-oxo-2-(trifluoromethyl)pentanoate
Property Insights of Methyl 4-oxo-2-(trifluoromethyl)pentanoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-oxo-2-(trifluoromethyl)pentanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 4-oxo-2-(trifluoromethyl)pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-oxo-2-(trifluoromethyl)pentanoate 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 4-oxo-2-(trifluoromethyl)pentanoate?
The CAS number of Methyl 4-oxo-2-(trifluoromethyl)pentanoate is 139547-14-1.
What is the molecular formula of Methyl 4-oxo-2-(trifluoromethyl)pentanoate?
The molecular formula of Methyl 4-oxo-2-(trifluoromethyl)pentanoate is C7H9F3O3.
What is the molecular weight of Methyl 4-oxo-2-(trifluoromethyl)pentanoate?
The molecular weight of Methyl 4-oxo-2-(trifluoromethyl)pentanoate is 198.05038 g/mol.
Where can I buy Methyl 4-oxo-2-(trifluoromethyl)pentanoate?
You can request a quote for Methyl 4-oxo-2-(trifluoromethyl)pentanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-oxo-2-(trifluoromethyl)pentanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-oxo-2-(trifluoromethyl)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.