| Canonical Smiles | C1CNC2=C(C1=O)C(=CC=C2)F |
|---|---|
| IUPAC Name | 5-fluoro-2,3-dihydro-1H-quinolin-4-one |
| InChIKey | PTFOZDHLEGOSEA-UHFFFAOYSA-N |
| INCHI | 1S/C9H8FNO/c10-6-2-1-3-7-9(6)8(12)4-5-11-7/h1-3,11H,4-5H2 |
| Isomeric SMILES | C1CNC2=C(C1=O)C(=CC=C2)F |
| PubChem CID | 55297457 |
| Molecular Weight | 165.16 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Quinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroquinolones |
| Alternative Parents | Hydroquinolines Aryl alkyl ketones Secondary alkylarylamines Benzenoids Aryl fluorides Vinylogous halides Vinylogous amides Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tetrahydroquinolone - Tetrahydroquinoline - Aryl ketone - Aryl alkyl ketone - Secondary aliphatic/aromatic amine - Aryl fluoride - Benzenoid - Aryl halide - Vinylogous amide - Vinylogous halide - Ketone - Azacycle - Secondary amine - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group. |
| External Descriptors | Not available |
| Molecular Weight | 165.160 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 165.059 Da |
| Monoisotopic Mass | 165.059 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 195.000 |
| 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 |
