Compound Identification
SMILES
C[C@@H]1S[C@@H](CC2=CC(=CC=C2)C(F)(F)F)CC1=S
InChIKey
InChIKey=XXBMMEMLRVLGKM-KWQFWETISA-N
Formula
C13H13F3S2
Mass
290.36
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
Thiolane-3-thiones Thioketones Dialkylthioethers Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Thiolane-3-thione - Thiolane - Thioketone - Organoheterocyclic compound - Dialkylthioether - Thioether - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic 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