Compound Identification
SMILES
FC(F)(F)C1=CC=CC(=C1)C(N1CCCNCC1)C1=CC2=CC=CC=C2S1
InChIKey
InChIKey=HJFURKVUQQUDSB-UHFFFAOYSA-N
Formula
C21H21F3N2S
Mass
390.47
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
1-benzothiophenes 2,3,5-trisubstituted thiophenes Aralkylamines 1,4-diazepanes Heteroaromatic compounds Trialkylamines Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - 1-benzothiophene - Benzothiophene - 2,3,5-trisubstituted thiophene - 1,4-diazepane - Diazepane - Aralkylamine - Heteroaromatic compound - Thiophene - Tertiary amine - Tertiary aliphatic amine - Secondary aliphatic amine - Azacycle - Secondary amine - Organoheterocyclic compound - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Alkyl halide - Amine - 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