Compound Identification
SMILES
CCOP(=O)(OCC)C(CC1=CC=C(C=C1)C(F)(F)F)C1=C(Cl)C2=CC=CC=C2S1
InChIKey
InChIKey=KQQRTWLYHSXWBP-UHFFFAOYSA-N
Formula
C21H21ClF3O3PS
Mass
476.87
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 Dialkyl alkylphosphonates Phosphonic acid esters Aryl chlorides Thiophenes Heteroaromatic compounds Organophosphorus compounds Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - 1-benzothiophene - Benzothiophene - Dialkyl alkylphosphonate - Phosphonic acid diester - Aryl chloride - Aryl halide - Phosphonic acid ester - Organophosphonic acid derivative - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Organophosphorus compound - Organooxygen compound - Organofluoride - Organochloride - Alkyl fluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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