Compound Identification
SMILES
[O-][N+]1=CC=CC=C1S(=O)CC1=CC(=CC=C1)C(F)(F)F
InChIKey
InChIKey=RATYGBHLCXGUEX-UHFFFAOYSA-N
Formula
C13H10F3NO2S
Mass
301.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzyl sulfoxides
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyl sulfoxides
Intermediate Tree Nodes
Not available
Direct Parent
Benzyl sulfoxides
Alternative Parents
Trifluoromethylbenzenes Pyridinium derivatives Heteroaromatic compounds Sulfoxides Sulfinyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl sulfoxide - Trifluoromethylbenzene - Pyridine - Pyridinium - Heteroaromatic compound - Sulfoxide - Sulfinyl compound - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyl sulfoxides. These are organosulfur compounds that contain a sulfoxide group substituted by a benzyl group. They have the general structure RS(=O)R' ( R=benzyl, R'=organyl).
External Descriptors
Not available