Compound Identification
SMILES
CSC1=NC(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(C(=O)OCCCC2=CC=CC=C2)=C(COCCN2CCCCC2)N1
InChIKey
InChIKey=ZCULXDJLFMIANN-UHFFFAOYSA-N
Formula
C31H35F6N3O3S
Mass
643.69
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 Piperidines Vinylogous amides Enoate esters Trialkylamines Amino acids and derivatives Isothioureas Sulfenyl compounds Azacyclic compounds Carboximidamides Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Alkyl fluorides Hydrocarbon derivatives Organopnictogen compounds Organofluorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Hydropyrimidine carboxylic acid derivative - Hydropyrimidine - Piperidine - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Isothiourea - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Alkyl fluoride - Organic oxygen compound - Alkyl halide - Amine - 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