Compound Identification
SMILES
COC(=O)C1=C(CBr)N=C2N=CNN2C1C1=CC=CC=C1C(F)(F)F
InChIKey
InChIKey=KVYDSWFQTLPJLJ-UHFFFAOYSA-N
Formula
C15H12BrF3N4O2
Mass
417.186
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
Triazolopyrimidines Hydropyrimidines Triazolines Enoate esters Methyl esters Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Formamidines Hydrocarbon derivatives Imines Organic oxides Carbonyl compounds Organobromides Organofluorides Alkyl fluorides Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Triazolopyrimidine - Hydropyrimidine - 1,6-dihydropyrimidine - Triazoline - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid amidrazone - Carboxylic acid ester - Amidine - Carboxylic acid derivative - Formamidine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organobromide - Organohalogen compound - Alkyl bromide - Imine - Organic oxide - Organic oxygen compound - Alkyl halide - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Alkyl fluoride - 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