Compound Identification
SMILES
CCOC(=O)C1=C(C)N(C(N)=C(C1C1=CC=C(C=C1)C#N)C1=NC(C)(C)CO1)C1=CC=CC(=C1)C(F)(F)F
InChIKey
InChIKey=BYXYIBRKPXMFKT-UHFFFAOYSA-N
Formula
C28H27F3N4O3
Mass
524.544
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
Dihydropyridinecarboxylic acids and derivatives Benzonitriles Vinylogous amides Oxazolines Enoate esters Ketene acetals Imidoesters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Amines Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Dihydropyridinecarboxylic acid derivative - Benzonitrile - Dihydropyridine - Hydropyridine - Oxazoline - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Imido ester - Ketene acetal or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Alkyl halide - Amine - 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