| Canonical Smiles | CN(C)C1=CC=CC(=C1)C(=O)C(F)(F)F |
|---|---|
| IUPAC Name | 1-[3-(dimethylamino)phenyl]-2,2,2-trifluoroethanone |
| InChIKey | ZMHBSXYQECXIJY-UHFFFAOYSA-N |
| INCHI | 1S/C10H10F3NO/c1-14(2)8-5-3-4-7(6-8)9(15)10(11,12)13/h3-6H,1-2H3 |
| Isomeric SMILES | CN(C)C1=CC=CC(=C1)C(=O)C(F)(F)F |
| PubChem CID | 193152 |
| Molecular Weight | 217.19 |
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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 | Dialkylarylamines Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Alpha-haloketones Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Tertiary amine - Alkyl fluoride - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Alkyl halide - Hydrocarbon derivative - Aromatic homomonocyclic 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 | 217.190 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 217.071 Da |
| Monoisotopic Mass | 217.071 Da |
| Topological Polar Surface Area | 20.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 237.000 |
| 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 |
