Compound Identification
SMILES
NCC[C@@H](OC1=CC(Cl)=C(F)C=C1C#N)C1=NOC=C1
InChIKey
InChIKey=VDTMUHOBBQUDBO-GFCCVEGCSA-N
Formula
C13H11ClFN3O2
Mass
295.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Phenol ethers
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds Benzonitriles Alkyl aryl ethers Aralkylamines Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Isoxazoles Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Organofluorides Organochlorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Azole - Isoxazole - Oxacycle - Azacycle - Nitrile - Carbonitrile - Organoheterocyclic compound - Ether - Organooxygen compound - Organic oxygen compound - Cyanide - Amine - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Primary aliphatic amine - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors
Not available