Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=NN=C(O1)S[C@H](C)C(=O)C1=CC(F)=C(F)C=C1
InChIKey
InChIKey=DBQKPBDSDBWMDT-SNVBAGLBSA-N
Formula
C19H16F2N2O4S
Mass
406.4
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
Dimethoxybenzenes Phenylpropanes Anisoles Phenoxy compounds Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds 1,3,4-oxadiazoles Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Organonitrogen compounds Organopnictogen compounds Aldehydes Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Dimethoxybenzene - O-dimethoxybenzene - Phenylpropane - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Phenoxy compound - Aryl thioether - Methoxybenzene - Alkylarylthioether - Fluorobenzene - Alkyl aryl ether - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - 1,3,4-oxadiazole - Azole - Oxadiazole - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Ether - Aldehyde - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organosulfur compound - Organohalogen compound - 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