Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate
TL;DR: Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate (CAS 1048670-08-1) is a chemical compound with molecular formula C9H11F3O4 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate
Also Known As: Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate, Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate, ethyl 3-ethoxy-2-(2,2,2-trifluoroacetyl)acrylate, ethyl (2Z)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate, (Z)-ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate
| Molecular Formula | C9H11F3O4 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 1.6013 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.06094 |
| Heavy Atoms | 16 |
| Complexity | 293.61945 |
Chemical Identifiers
| CAS Number | 1048670-08-1 |
|---|---|
| SMILES | CCO/C=C(/C(=O)C(F)(F)F)\C(=O)OCC |
Product Overview
Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate (CAS 1048670-08-1), with molecular formula C9H11F3O4 and molecular weight 240.06 g/mol. IUPAC: ethyl (2Z)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate
Property Insights of Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate
The XLogP value of 1.6013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate has 0 hydrogen bond donor(s) and 4 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-(ethoxymethylene)-4,4,4-trifluoroacetoacetate?
The CAS number of Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate is 1048670-08-1.
What is the molecular formula of Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate?
The molecular formula of Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate is C9H11F3O4.
What is the molecular weight of Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate?
The molecular weight of Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate is 240.06 g/mol.
Where can I buy Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate?
You can request a quote for Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.