Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate
TL;DR: Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate (CAS 3854-50-0) is a chemical compound with molecular formula C8H11F3O3 and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutanoate
Also Known As: ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutanoate, Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate, ethyl 2-(trifluoroacetyl)butanoate, ethyl 2-ethyl-4,4,4-trifluoro-3-oxo-butanoate, 4,4?-(1,6-Hexanediyl)dioxydibenzaldehyde
| Molecular Formula | C8H11F3O3 |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.06602 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 3854-50-0 |
|---|---|
| SMILES | CCC(C(=O)C(F)(F)F)C(=O)OCC |
| InChIKey | RRFFKINDACKLJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate (CAS 3854-50-0), with molecular formula C8H11F3O3 and molecular weight 212.07 g/mol. IUPAC: ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate
Property Insights of Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate 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
Frequently Asked Questions
What is the CAS number of Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate?
The CAS number of Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate is 3854-50-0.
What is the molecular formula of Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate?
The molecular formula of Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate is C8H11F3O3.
What is the molecular weight of Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate?
The molecular weight of Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate is 212.07 g/mol.
Where can I buy Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate?
You can request a quote for Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-ethyl-4,4,4-trifluoro-3-oxobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.