≥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.
| Canonical Smiles | CN(C)C=CC(=O)C1=CN=C(C=C1)C(F)(F)F |
|---|---|
| IUPAC Name | (E)-3-(dimethylamino)-1-[6-(trifluoromethyl)pyridin-3-yl]prop-2-en-1-one |
| InChIKey | SHYGFDYXPVMIDA-AATRIKPKSA-N |
| INCHI | 1S/C11H11F3N2O/c1-16(2)6-5-9(17)8-3-4-10(15-7-8)11(12,13)14/h3-7H,1-2H3/b6-5+ |
| Isomeric SMILES | CN(C)/C=C/C(=O)C1=CN=C(C=C1)C(F)(F)F |
| PubChem CID | 45598098 |
| Molecular Weight | 244.21 |
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 oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Aryl ketones |
| Alternative Parents | Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Enones Acryloyl compounds Trialkylamines Enamines Azacyclic compounds Allylamines Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl ketone - Pyridine - Acryloyl-group - Enone - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated ketone - Tertiary amine - Tertiary aliphatic amine - Enamine - Allylamine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Alkyl halide - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group. |
| External Descriptors | Not available |
| Molecular Weight | 244.210 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 244.082 Da |
| Monoisotopic Mass | 244.082 Da |
| Topological Polar Surface Area | 33.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 300.000 |
| 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 |
