≥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.
| Sonrisas canónicas | C1CN(CCC1C(=O)O)/C=C/C(=O)C(F)(F)F |
|---|---|
| IUPAC Name | 1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]piperidine-4-carboxylic acid |
| InChIKey | JWSHXVSYKMNMBH-ZZXKWVIFSA-N |
| INCHI | 1S/C10H12F3NO3/c11-10(12,13)8(15)3-6-14-4-1-7(2-5-14)9(16)17/h3,6-7H,1-2,4-5H2,(H,16,17)/b6-3+ |
| Peso molecular | 251.200 |
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 | Organoheterocyclic compounds |
| Clase | Piperidines |
| Subclass | Piperidinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperidinecarboxylic acids |
| Alternative Parents | Vinylogous amides Acryloyl compounds Alpha-haloketones Enones Trialkylamines Amino acids Enamines Carboxylic acids Azacyclic compounds Allylamines Monocarboxylic acids and derivatives Hydrocarbon derivatives Organofluorides Alkyl fluorides Organopnictogen compounds Organic oxides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Piperidinecarboxylic acid - Alpha-haloketone - Acryloyl-group - Enone - Vinylogous amide - Alpha,beta-unsaturated ketone - Amino acid or derivatives - Ketone - Amino acid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Enamine - Monocarboxylic acid or derivatives - Allylamine - Azacycle - Organohalogen compound - Alkyl halide - Organic oxide - Organopnictogen compound - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group. |
| External Descriptors | Not available |
| Peso molecular | 251.200 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 251.077 Da |
| Monoisotopic Mass | 251.077 Da |
| Topological Polar Surface Area | 57.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 330.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
