Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate
TL;DR: Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate (CAS 680-09-1) is a chemical compound with molecular formula C9H10F6O4 and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate
Also Known As: 2-Acetyl-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid ethyl ester, ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate, 2-Acetyl-3-hydroxy-4,4,4-trifluoro-3- butyricacidethylester, Butyric acid, 2-acetyl-3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-, ethyl ester, Acetoacetic acid, 2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-, ethyl ester
| Molecular Formula | C9H10F6O4 |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.04834 |
| Heavy Atoms | 19 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 680-09-1 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | QSJYRVSERRYRMJ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate (CAS 680-09-1), with molecular formula C9H10F6O4 and molecular weight 296.05 g/mol. IUPAC: ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate.
Chemical Property Profile of Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate
Property Insights of Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate. Following Lipinski's Rule of Five, Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate has 1 hydrogen bond donor(s) and 10 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 Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate?
The CAS number of Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate is 680-09-1.
What is the molecular formula of Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate?
The molecular formula of Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate is C9H10F6O4.
What is the molecular weight of Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate?
The molecular weight of Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate is 296.05 g/mol.
Where can I buy Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate?
You can request a quote for Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.