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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.
| Canonical Smiles | CC(C(=O)NCC(=O)NC1=C(C(=C(C=C1)F)F)F)Cl |
|---|---|
| IUPAC Name | 2-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide |
| InChIKey | UDEKLBHATAMXDF-UHFFFAOYSA-N |
| INCHI | 1S/C11H10ClF3N2O2/c1-5(12)11(19)16-4-8(18)17-7-3-2-6(13)9(14)10(7)15/h2-3,5H,4H2,1H3,(H,16,19)(H,17,18) |
| Molecular Weight | 294.66 |
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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 | Alpha amino acid amides Anilides N-arylamides Fluorobenzenes Aryl fluorides Secondary carboxylic acid amides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Anilide - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Alkyl chloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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 | 294.660 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 294.038 Da |
| Monoisotopic Mass | 294.038 Da |
| Topological Polar Surface Area | 58.200 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 346.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |