Compound Identification
SMILES
CCC1=CN=CN1CC1=CC(F)=C(C=C1)C#N
InChIKey
InChIKey=JJVVZTISCYONHT-UHFFFAOYSA-N
Formula
C13H12FN3
Mass
229.258
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 N-substituted imidazoles Aryl fluorides Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organonitrogen compound - Organic nitrogen compound - Organofluoride - Organohalogen compound - Cyanide - Hydrocarbon derivative - 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