Compound Identification
SMILES
CC(C)CCC1=NN(C(=O)C2=CC(F)=CC=C2)C(O)(C1)C(F)(F)F
InChIKey
InChIKey=WCWAPTUCSUJMLU-UHFFFAOYSA-N
Formula
C16H18F4N2O2
Mass
346.326
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
3-halobenzoic acids and derivatives
Alternative Parents
Benzoyl derivatives Fluorobenzenes Aryl fluorides Pyrazolines N-alkylated hydrazones Fluorohydrins Carboxylic acids and derivatives Azacyclic compounds Alkanolamines Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyrazoline - Fluorohydrin - Halohydrin - N-alkylated hydrazone - Azacycle - Alkanolamine - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available