≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Description
Useful in the synthesis of 2-amino-6,7-dihydroxy-1,2,3,4-tetrahydronaphthalene, a potent dopamine agonist. Used in the synthesis of sweetening agents, such asN-trifluoroacetyl-L-aspartic acid α-amides and α-anilides.
| Canonical Smiles | C1C(C(=O)OC1=O)NC(=O)C(F)(F)F |
|---|---|
| IUPAC Name | N-[(3S)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide |
| InChIKey | ABTJOHYOWBAGTP-REOHCLBHSA-N |
| INCHI | 1S/C6H4F3NO4/c7-6(8,9)5(13)10-2-1-3(11)14-4(2)12/h2H,1H2,(H,10,13)/t2-/m0/s1 |
| Isomeric SMILES | C1[C@@H](C(=O)OC1=O)NC(=O)C(F)(F)F |
| WGK Germany | 3 |
| PubChem CID | 12197622 |
| Molecular Weight | 211.1 |
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 | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | N-acyl-alpha amino acids and derivatives |
| Alternative Parents | Dicarboxylic acids and derivatives Oxolanes Carboxylic acid anhydrides Secondary carboxylic acid amides Lactones Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | N-acyl-alpha amino acid or derivatives - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Oxolane - Carboxamide group - Lactone - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 211.100 g/mol |
|---|---|
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 211.009 Da |
| Monoisotopic Mass | 211.009 Da |
| Topological Polar Surface Area | 72.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 298.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
