Compound Identification
SMILES
OS(=O)(=O)C1=CC=CC=C1.COC(=O)C1=C(C)N(C2=NNC(=O)N2[C@@H]1C1=C(C[N+](C)(CCO)CCO)C=C(C=C1)C#N)C1=CC=CC(=C1)C(F)(F)F
InChIKey
InChIKey=FOEMKHQYIAXKFX-GJFSDDNBSA-O
Formula
C34H36F3N6O8S
Mass
745.75
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
Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Triazolopyrimidines Benzenesulfonyl compounds Aniline and substituted anilines Phenylmethylamines Benzonitriles Benzylamines Aralkylamines Cholines Pyrimidines and pyrimidine derivatives Vinylogous amides Triazoles Tetraalkylammonium salts Sulfonyls Organosulfonic acids Enoate esters Heteroaromatic compounds Methyl esters 1,2-aminoalcohols Enamines Azacyclic compounds Monocarboxylic acids and derivatives Nitriles Organic oxides Carbonyl compounds Organofluorides Alkyl fluorides Hydrocarbon derivatives Primary alcohols Organic cations
Molecular Framework
Not available
Substituents
Trifluoromethylbenzene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Triazolopyrimidine - 1-sulfo,2-unsubstituted aromatic compound - Benzonitrile - Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Choline - Aralkylamine - Pyrimidine - Azole - Tetraalkylammonium salt - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Triazole - 1,2,4-triazole - Heteroaromatic compound - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - 1,2-aminoalcohol - Alkanolamine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Enamine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Primary alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic oxide - Alkyl fluoride - Alkyl halide - Amine - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Alcohol - Cyanide - Carbonyl group - Organic cation - 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