Compound Identification
SMILES
CC(=O)C1=C(F)C=C(OCC2CN(CCO2)C(=O)C2=CC(=CC(Cl)=C2F)C(F)(F)F)C=C1
InChIKey
InChIKey=HULMSFJXOGOEKC-UHFFFAOYSA-N
Formula
C21H17ClF5NO4
Mass
477.81
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
2-halobenzoic acids and derivatives Trifluoromethylbenzenes 3-halobenzoic acids and derivatives Acetophenones Benzamides Morpholine carboxylic acids and derivatives Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Vinylogous halides Azacyclic compounds Oxacyclic compounds Dialkyl ethers Organic oxides Organochlorides Organofluorides Alkyl fluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Acetophenone - Morpholine-4-carboxylic acid or derivatives - Benzoyl - Aryl alkyl ketone - Phenol ether - Phenoxy compound - Chlorobenzene - Fluorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Morpholine - Oxazinane - Tertiary carboxylic acid amide - Vinylogous halide - Carboxamide group - Ether - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Oxacycle - Organic oxide - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic 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