Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)[C@](C)(O)[C@@H](O)C(F)(F)F
InChIKey
InChIKey=VFVUPASAIXUFHK-MNOVXSKESA-N
Formula
C12H13F3O3
Mass
262.228
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
-
Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
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
Butyrophenones Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Toluenes Beta-hydroxy ketones Acyloins Alpha-hydroxy ketones Tertiary alcohols Fluorohydrins 1,2-diols Secondary alcohols Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Phenylpropane - Aryl alkyl ketone - Benzoyl - Toluene - Acyloin - Benzenoid - Monocyclic benzene moiety - Beta-hydroxy ketone - Alpha-hydroxy ketone - Tertiary alcohol - 1,2-diol - Secondary alcohol - Halohydrin - Fluorohydrin - Organic oxide - Hydrocarbon derivative - Alkyl halide - Organofluoride - Organohalogen compound - Alcohol - Alkyl fluoride - 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