Compound Identification
SMILES
CS(O)(=O)=O.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=UPRQZBFCOIEQTO-RIAYWLAYSA-N
Formula
C29H42F3N5O5S
Mass
629.74
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
N-acylpiperidines Pyrimidinecarboxylic acids and derivatives Aminopiperidines Aralkylamines N-alkylpiperazines Alkanesulfonic acids Tertiary carboxylic acid amides Heteroaromatic compounds Methanesulfonates Sulfonyls Organosulfonic acids Amino acids and derivatives Trialkylamines Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Not available
Substituents
Trifluoromethylbenzene - N-acyl-piperidine - Pyrimidine-5-carboxylic acid or derivatives - 4-aminopiperidine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Pyrimidine - Piperidine - Piperazine - Heteroaromatic compound - Alkanesulfonic acid - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic nitrogen compound - Organic oxygen compound - Alkyl fluoride - Alkyl halide - Amine - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur 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