Compound Identification
SMILES
CCCC1=C([C@@H](N2NC=NC2=N1)C1=CC=CC=C1C(F)(F)F)C(=O)OCC
InChIKey
InChIKey=GMBIISMHCBQVAK-HNNXBMFYSA-N
Formula
C18H19F3N4O2
Mass
380.371
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 Amidrazones Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Formamidines Azacyclic compounds Organofluorides Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Triazolopyrimidine - Hydropyrimidine - 1,6-dihydropyrimidine - Triazoline - 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 - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organohalogen compound - Organic nitrogen compound - Imine - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Alkyl halide - 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