Compound Identification
SMILES
CC1=CC=C(S1)[B-]1(OC2=CC=CC=C2O1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=DJBNGARJVCYIMQ-UHFFFAOYSA-N
Formula
C18H13BF3O2S
Mass
361.17
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
2,5-disubstituted thiophenes Heteroaromatic compounds Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - 2,5-disubstituted thiophene - Boronic acid ester - Thiophene - Heteroaromatic compound - Boronic acid derivative - Organic metalloid salt - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Alkyl halide - Organooxygen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic anion - 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