≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1CC(=O)NC(=C1C#N)C2=CC=C(C=C2)OC3=CC=CC(=C3)C(F)(F)F |
|---|---|
| IUPAC Name | 2-oxo-6-[4-[3-(trifluoromethyl)phenoxy]phenyl]-3,4-dihydro-1H-pyridine-5-carbonitrile |
| InChIKey | KHONCWNHWBRUPV-UHFFFAOYSA-N |
| INCHI | 1S/C19H13F3N2O2/c20-19(21,22)14-2-1-3-16(10-14)26-15-7-4-12(5-8-15)18-13(11-23)6-9-17(25)24-18/h1-5,7-8,10H,6,9H2,(H,24,25) |
| Molecular Weight | 358.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents | Diarylethers Trifluoromethylbenzenes Phenoxy compounds Phenol ethers Tetrahydropyridines Secondary carboxylic acid amides Lactams Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diphenylether - Diaryl ether - Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Tetrahydropyridine - Hydropyridine - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. |
| External Descriptors | Not available |
| Molecular Weight | 358.300 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 358.093 Da |
| Monoisotopic Mass | 358.093 Da |
| Topological Polar Surface Area | 62.100 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 612.000 |
| 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 |
![6-Oxo-2-{4-[3-(trifluoromethyl)phenoxy]phenyl}-1,4,5,6-tetrahydro-3-pyridinecarbonitrile - ≥90% , CAS No.478081-40-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)