Compound Identification
SMILES
NC(=O)C1=NC(NC2=CC=CC(=C2)C(F)(F)F)=NC(NCC2=CC=CO2)=N1
InChIKey
InChIKey=BJIFLOOPUKNGBI-UHFFFAOYSA-N
Formula
C16H13F3N6O2
Mass
378.315
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
1,3,5-triazine-2,4-diamines 2-heteroaryl carboxamides Aniline and substituted anilines Secondary alkylarylamines N-aliphatic s-triazines 1,3,5-triazines Furans Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Oxacyclic compounds Organofluorides Alkyl fluorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - 2-heteroaryl carboxamide - 2,4-diamine-s-triazine - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Secondary aliphatic/aromatic amine - N-aliphatic s-triazine - 1,3,5-triazine - Triazine - Heteroaromatic compound - Furan - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxygen compound - 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