Compound Identification
SMILES
CC1=C(Cl)C=C(NC2=NC(NN=CC3=CC=CC=C3C(F)(F)F)=NC(=N2)N2CCOCC2)C=C1
InChIKey
InChIKey=JCTUPKHVEQLQCI-UHFFFAOYSA-N
Formula
C22H21ClF3N7O
Mass
491.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
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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
1,3,5-triazine-2,4-diamines Aniline and substituted anilines Dialkylarylamines Toluenes Chlorobenzenes 1,3,5-triazines Aryl chlorides Morpholines Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrazones Alkyl fluorides Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - 2,4-diamine-s-triazine - Dialkylarylamine - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Triazine - 1,3,5-triazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Hydrazone - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic 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