Compound Identification
SMILES
CCOC(=O)CC(=O)C1=C(F)C=C(C=C1)C#N
InChIKey
InChIKey=BLCUKRYLMYYGRX-UHFFFAOYSA-N
Formula
C12H10FNO3
Mass
235.214
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
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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
Benzoyl derivatives Benzonitriles Aryl alkyl ketones Fluorobenzenes Fatty acid esters Beta-keto acids and derivatives Aryl fluorides 1,3-dicarbonyl compounds Vinylogous halides Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Benzonitrile - Benzoyl - Aryl alkyl ketone - Halobenzene - Fluorobenzene - Fatty acid ester - Beta-keto acid - Keto acid - Aryl fluoride - Benzenoid - 1,3-dicarbonyl compound - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Cyanide - 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