≥90% 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 | CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 1-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]ethanone |
| InChIKey | RUINCLUWMWDPBY-UHFFFAOYSA-N |
| INCHI | 1S/C18H17ClF3N3O/c1-12(26)13-2-4-15(5-3-13)24-6-8-25(9-7-24)17-16(19)10-14(11-23-17)18(20,21)22/h2-5,10-11H,6-9H2,1H3 |
| Isomeric SMILES | CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl |
| PubChem CID | 3758712 |
| Molecular Weight | 383.8 |
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 - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Pyridinylpiperazines Phenylpiperazines N-arylpiperazines Acetophenones Aniline and substituted anilines Aryl alkyl ketones Dialkylarylamines Benzoyl derivatives Aminopyridines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives Organic oxides Organochlorides Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - Phenylpiperazine - Pyridinylpiperazine - N-arylpiperazine - Acetophenone - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Aminopyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Tertiary amine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Alkyl halide - Organic oxide - Organic nitrogen compound - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 383.800 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 383.101 Da |
| Monoisotopic Mass | 383.101 Da |
| Topological Polar Surface Area | 36.400 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 489.000 |
| 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 |
![1-(4-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-1-ethanone - ≥90% CAS No(338979-19-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/9/C981745.jpg)