Compound Identification
SMILES
CC1=C(C(N)=O)C(F)=CC(F)=C1F
InChIKey
InChIKey=PUNCYPYHZDAAFT-UHFFFAOYSA-N
Formula
C8H6F3NO
Mass
189.137
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
4-halobenzoic acids and derivatives
Alternative Parents
3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives o-Toluamides Benzamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Primary carboxylic acid amides Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - O-toluamide - Toluamide - Benzoyl - Toluene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available