Compound Identification
SMILES
CCC1CCC23OC(=N)C(C#N)(C2C1)C(C#N)(C#N)C(O3)C1=CC=CC=C1C(F)(F)F
InChIKey
InChIKey=WALDQIMOPUEJNA-UHFFFAOYSA-N
Formula
C22H19F3N4O2
Mass
428.415
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Ketals 1,3-dioxepanes Oxanes Oxolanes Imidoesters Oxacyclic compounds Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - 1,3-dioxepane - Dioxepane - Ketal - Oxane - Oxolane - Imido ester - Oxacycle - Organoheterocyclic compound - Acetal - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available