Compound Identification
SMILES
FC1=C2OC[C@H]3C\C(CC[C@]3(C2=C(F)C=C1)S(=O)(=O)C1=CC=C(C=C1)C(F)(F)F)=C/C#N
InChIKey
InChIKey=PUFUGFYCURJLKB-FXCUJGQQSA-N
Formula
C22H16F5NO3S
Mass
469.43
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-benzopyrans Benzenesulfonyl compounds Alkyl aryl ethers Aryl fluorides Sulfones Oxacyclic compounds Nitriles Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Chromane - Benzopyran - 1-benzopyran - Benzenesulfonyl group - Alkyl aryl ether - Aryl fluoride - Aryl halide - Sulfonyl - Sulfone - Oxacycle - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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