Compound Identification
SMILES
Cl.NC1=NC(NC[C@H]2CCCN2CC2=C(F)C=C(C=C2)C(F)(F)F)=NC2=NC(=NN12)C1=CC=CO1
InChIKey
InChIKey=MFWUNSFHXGVCEB-PFEQFJNWSA-N
Formula
C21H21ClF4N8O
Mass
512.9
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 Phenylmethylamines Benzylamines Aralkylamines N-aliphatic s-triazines Fluorobenzenes 1,3,5-triazines N-alkylpyrrolidines Aryl fluorides Triazoles Heteroaromatic compounds Furans Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organofluorides Alkyl fluorides Organooxygen compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - 2,4-diamine-s-triazine - Benzylamine - Phenylmethylamine - Amino-1,3,5-triazine - Aminotriazine - Fluorobenzene - Halobenzene - Aralkylamine - N-aliphatic s-triazine - Aryl fluoride - Aryl halide - 1,3,5-triazine - N-alkylpyrrolidine - Triazine - Heteroaromatic compound - Azole - Furan - Pyrrolidine - 1,2,4-triazole - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Oxacycle - Azacycle - Organic oxygen compound - Hydrochloride - Amine - Organohalogen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - 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