| Canonical Smiles | C1CN(CCC1=O)C(=O)C2=C(C=CC=C2F)F |
|---|---|
| IUPAC Name | 1-(2,6-difluorobenzoyl)piperidin-4-one |
| InChIKey | YWSDKASTJVEUHW-UHFFFAOYSA-N |
| INCHI | 1S/C12H11F2NO2/c13-9-2-1-3-10(14)11(9)12(17)15-6-4-8(16)5-7-15/h1-3H,4-7H2 |
| Molecular Weight | 239.220 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzoylpiperidines |
| Alternative Parents | N-benzoylpiperidines 2-halobenzoic acids and derivatives Benzamides Piperidinones Fluorobenzenes Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Cyclic ketones Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-benzoylpiperidine - 1-benzoylpiperidine - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Fluorobenzene - Piperidinone - Halobenzene - Aryl fluoride - Aryl halide - Piperidine - Vinylogous halide - Tertiary carboxylic acid amide - Ketone - Cyclic ketone - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group. |
| External Descriptors | Not available |
| Molecular Weight | 239.220 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 239.076 Da |
| Monoisotopic Mass | 239.076 Da |
| Topological Polar Surface Area | 37.400 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 302.000 |
| 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 |
