Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.C[C@H](CN1CCCC1)C(=O)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=DPWSSRKPLMDVEI-CBAKFZFCSA-N
Formula
C19H22F3NO5
Mass
401.382
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
Trifluoromethylbenzenes Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Unsaturated fatty acids N-alkylpyrrolidines Beta-amino ketones Dicarboxylic acids and derivatives Trialkylamines Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds Alkyl fluorides Aldehydes
Molecular Framework
Not available
Substituents
Alkyl-phenylketone - Trifluoromethylbenzene - Phenylpropane - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Beta-aminoketone - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Benzenoid - N-alkylpyrrolidine - Unsaturated fatty acid - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Amine - Alkyl halide - Aldehyde - Alkyl fluoride - 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