Compound Identification
SMILES
C[C@H]1CN(C[C@@H](O)COC2=CC3=C(SC(C)=N3)C=C2)CCN1CC1=NOC(C1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=QJYIWIVYIPKQGM-CIZNCGTPSA-N
Formula
C27H31F3N4O3S
Mass
548.63
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
Benzothiazoles Phenol ethers N-alkylpiperazines Alkyl aryl ethers Isoxazolines Heteroaromatic compounds Thiazoles Secondary alcohols 1,2-aminoalcohols Oxime ethers Trialkylamines Oxacyclic compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - 1,3-benzothiazole - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - 1,4-diazinane - Piperazine - Azole - Heteroaromatic compound - Isoxazoline - Thiazole - 1,2-aminoalcohol - Oxime ether - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Azacycle - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Alcohol - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - 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