Ethyl 4,4,4-trifluoroacetoacetate
TL;DR: Ethyl 4,4,4-trifluoroacetoacetate (CAS 372-31-6) is a chemical compound with molecular formula C6H7F3O3 and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4,4-trifluoro-3-oxobutanoate
Also Known As: Ethyl 4,4,4-trifluoroacetoacetate, Ethyl trifluoroacetoacetate, Ethyl 4,4,4-trifluoro-3-oxobutanoate, ETFAA, Ethyl (trifluoroacetyl)acetate
| Molecular Formula | C6H7F3O3 |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.03473 |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
| Vapor Pressure | 6.0 [mmHg] |
Chemical Identifiers
| CAS Number | 372-31-6 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C(F)(F)F |
| InChIKey | OCJKUQIPRNZDTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4,4,4-trifluoroacetoacetate (CAS 372-31-6), with molecular formula C6H7F3O3 and molecular weight 184.03 g/mol. IUPAC: ethyl 4,4,4-trifluoro-3-oxobutanoate.
Chemical Property Profile of Ethyl 4,4,4-trifluoroacetoacetate
Property Insights of Ethyl 4,4,4-trifluoroacetoacetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,4,4-trifluoroacetoacetate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 4,4,4-trifluoroacetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,4,4-trifluoroacetoacetate 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 4,4,4-trifluoroacetoacetate?
The CAS number of Ethyl 4,4,4-trifluoroacetoacetate is 372-31-6.
What is the molecular formula of Ethyl 4,4,4-trifluoroacetoacetate?
The molecular formula of Ethyl 4,4,4-trifluoroacetoacetate is C6H7F3O3.
What is the molecular weight of Ethyl 4,4,4-trifluoroacetoacetate?
The molecular weight of Ethyl 4,4,4-trifluoroacetoacetate is 184.03 g/mol.
Where can I buy Ethyl 4,4,4-trifluoroacetoacetate?
You can request a quote for Ethyl 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 4,4,4-trifluoroacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,4,4-trifluoroacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.