Compound Identification
SMILES
CS(=O)(=O)C1=CC(=C(CC2=NOC(C3CC3)=C2Br)C=C1)C(F)(F)F
InChIKey
InChIKey=BTKRKKDQZGXFIB-UHFFFAOYSA-N
Formula
C15H13BrF3NO3S
Mass
424.23
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
Benzenesulfonyl compounds 5-cyclopropylisoxazoles Aryl bromides Sulfones Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Benzenesulfonyl group - 5-cyclopropylisoxazole - Cyclopropylisoxazole - Aryl bromide - Aryl halide - Azole - Isoxazole - Sulfone - Sulfonyl - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Oxacycle - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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