| Canonical Smiles | CC(=O)C1=CC(=C(C=C1O)F)F |
|---|---|
| IUPAC Name | 1-(4,5-difluoro-2-hydroxyphenyl)ethanone |
| InChIKey | JOKVRWTWQPDLHS-UHFFFAOYSA-N |
| INCHI | 1S/C8H6F2O2/c1-4(11)5-2-6(9)7(10)3-8(5)12/h2-3,12H,1H3 |
| Molecular Weight | 172.130 |
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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 | Acetophenones P-fluorophenols M-fluorophenols Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Vinylogous acids Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Acetophenone - Benzoyl - 4-halophenol - 3-halophenol - 3-fluorophenol - 4-fluorophenol - Aryl alkyl ketone - Halobenzene - Fluorobenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Benzenoid - Vinylogous acid - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - 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 | 172.130 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 172.034 Da |
| Monoisotopic Mass | 172.034 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 184.000 |
| 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 |
