| Sonrisas canónicas | C1C(CC(=O)CC1=O)C2=CC(=CC=C2)F |
|---|---|
| IUPAC Name | 5-(3-fluorophenyl)cyclohexane-1,3-dione |
| InChIKey | GCITYZWCVPHSGE-UHFFFAOYSA-N |
| INCHI | 1S/C12H11FO2/c13-10-3-1-2-8(4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7H2 |
| Isómeros SMILES | C1C(CC(=O)CC1=O)C2=CC(=CC=C2)F |
| PubChem CID | 21551719 |
| Peso molecular | 206.22 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorobenzenes |
| Alternative Parents | Beta-diketones Aryl fluorides Cyclic ketones Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 1,3-diketone - Fluorobenzene - 1,3-dicarbonyl compound - Aryl halide - Aryl fluoride - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 206.210 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 206.074 Da |
| Monoisotopic Mass | 206.074 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 259.000 |
| 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 |
