Compound Identification
SMILES
CC1=CC=C(C=C1)C(S)=CC(=O)C(F)(F)F
InChIKey
InChIKey=DCNCJPANJBEGQC-UHFFFAOYSA-N
Formula
C11H9F3OS
Mass
246.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Styrenes Toluenes Enones Alpha-haloketones Acryloyl compounds Thioenols Alkylthiols Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Styrene - Toluene - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated ketone - Acryloyl-group - Alpha-haloketone - Enone - Ketone - Alkylthiol - Thioenol - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic oxide - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available