Compound Identification
SMILES
C[C@H](O)CNCCNC1=C(C=C(C=C1)C(F)(F)F)[N+]([O-])=O
InChIKey
InChIKey=LCSZNGOSLIAKNJ-QMMMGPOBSA-N
Formula
C12H16F3N3O3
Mass
307.273
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
Nitrobenzenes Phenylalkylamines Aniline and substituted anilines Nitroaromatic compounds Secondary alkylarylamines Secondary alcohols 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Dialkylamines Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Alkyl fluorides Organic salts Organic oxides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Organic nitro compound - C-nitro compound - Secondary alcohol - 1,2-aminoalcohol - Secondary aliphatic amine - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Alcohol - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Alkyl fluoride - Organic zwitterion - Alkyl halide - Amine - Aromatic homomonocyclic 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