Compound Identification
SMILES
CCOC(=O)N1[C@H]([C@H](C#N)C(C)=NC1=O)C1=C(F)C=CC(=C1)C(F)(F)F
InChIKey
InChIKey=URRZIRHORGBILC-YPMHNXCESA-N
Formula
C16H13F4N3O3
Mass
371.292
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
Hydropyrimidine carboxylic acids and derivatives Pyrimidones Fluorobenzenes Aryl fluorides Carbamate esters Propargyl-type 1,3-dipolar organic compounds Nitriles Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Hydropyrimidine carboxylic acid derivative - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Hydropyrimidine - 1,2,5,6-tetrahydropyrimidine - Pyrimidine - Carbamic acid ester - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - 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