Compound Identification
SMILES
[Na+].COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)C1=C(C)N=CN=C1C)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=BPRZZEJIIBGGQY-RIAYWLAYSA-N
Formula
C28H38F3N5NaO2
Mass
556.629
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
Pyrimidinecarboxylic acids and derivatives N-acylpiperidines Aminopiperidines Aralkylamines N-alkylpiperazines Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Organic metal halides Azacyclic compounds Dialkyl ethers Organic alkali metal salts Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - N-acyl-piperidine - Pyrimidine-5-carboxylic acid or derivatives - 4-aminopiperidine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Piperidine - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organic metal halide - Organic alkali metal salt - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organofluoride - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organic nitrogen compound - Amine - Organic cation - 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