Compound Identification
SMILES
C[C@H](NC1=NC=CC(=N1)C1=C(N=C(S1)C1(O)CCN(C)CC1)C1=CC(=CC=C1)C(F)(F)F)C1=CC=CC=C1
InChIKey
InChIKey=HBNQSMZWOCJYKH-SFHVURJKSA-N
Formula
C28H28F3N5OS
Mass
539.62
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
2,4,5-trisubstituted thiazoles Aralkylamines Aminopyrimidines and derivatives Piperidines Tertiary alcohols Heteroaromatic compounds Trialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - 2,4,5-trisubstituted 1,3-thiazole - Aminopyrimidine - Aralkylamine - Piperidine - Pyrimidine - Heteroaromatic compound - Thiazole - Tertiary alcohol - Azole - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - 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