Compound Identification
SMILES
CC(=O)C1CC(=NN1C1=CC(C#N)=C(F)C=C1)C(F)(F)F
InChIKey
InChIKey=CAKQERTXFYNZCT-UHFFFAOYSA-N
Formula
C13H9F4N3O
Mass
299.229
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Fluorobenzenes Aryl fluorides Pyrazolines N-alkylated hydrazones Ketones Nitriles Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyrazoline - N-alkylated hydrazone - Ketone - Azacycle - Organoheterocyclic compound - Hydrazone - Carbonitrile - Nitrile - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available