It is a trifluoromethylated compound. Enantioselective Friedel-Crafts alkylation of simple phenols and indoles with ethyl 3,3,3-trifluoropyruvate under different reaction conditions have been reported.
It may be used in the preparation of N-heteroaryl(trifluoromethyl)hydroxyalkanoic acid esters.
| Canonical Smiles | CCOC(=O)C(=O)C(F)(F)F |
|---|---|
| IUPAC Name | ethyl 3,3,3-trifluoro-2-oxopropanoate |
| InChIKey | KJHQVUNUOIEYSV-UHFFFAOYSA-N |
| INCHI | 1S/C5H5F3O3/c1-2-11-4(10)3(9)5(6,7)8/h2H2,1H3 |
| Isomeric SMILES | CCOC(=O)C(=O)C(F)(F)F |
| WGK Germany | 3 |
| UN Number | 3272 |
| Molecular Weight | 170.09 |
| Beilstein | 2087390 |
| Reaxy-Rn | 2087388 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2087388&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Keto acids and derivatives |
| Subclass | Alpha-keto acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alpha-keto acids and derivatives |
| Alternative Parents | Alpha-haloketones Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-keto acid - Alpha-haloketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2201388 | Certificate of Analysis | Jun 11, 2026 | E101007 |
| I2201393 | Certificate of Analysis | Jun 11, 2026 | E101007 |
| I2201394 | Certificate of Analysis | Jun 11, 2026 | E101007 |
| E1810010 | Certificate of Analysis | Mar 20, 2026 | E101007 |
| B2215258 | Certificate of Analysis | Oct 30, 2025 | E101007 |
| I2510428 | Certificate of Analysis | Aug 22, 2025 | E101007 |
| I2510429 | Certificate of Analysis | Aug 22, 2025 | E101007 |
| G2419239 | Certificate of Analysis | Apr 02, 2024 | E101007 |
| G2419240 | Certificate of Analysis | Apr 02, 2024 | E101007 |
| E1810011 | Certificate of Analysis | Mar 08, 2022 | E101007 |
| B2215259 | Certificate of Analysis | Dec 15, 2021 | E101007 |
| I2404187 | Certificate of Analysis | Dec 15, 2021 | E101007 |
| Sensitivity | Moisture sensitive |
|---|---|
| Refractive Index | 1.341 |
| Flash Point(°F) | 87.8 °F |
| Flash Point(°C) | 27℃ |
| Boil Point(°C) | 98 °C |
| Molecular Weight | 170.090 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 170.019 Da |
| Monoisotopic Mass | 170.019 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 172.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
