Compound Identification
SMILES
COC(=O)N1CCN(C(CN2CCCC2CO)C1)C(=O)CC1=C(C=C(C=C1)C(F)(F)F)[N+]([O-])=O
InChIKey
InChIKey=HFQCXRCFIGYCOL-UHFFFAOYSA-N
Formula
C21H27F3N4O6
Mass
488.464
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
Phenylacetamides Nitrobenzenes Piperazine carboxylic acids Nitroaromatic compounds N-alkylpyrrolidines Methylcarbamates Tertiary carboxylic acid amides Trialkylamines 1,2-aminoalcohols Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organofluorides Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Phenylacetamide - Nitrobenzene - Piperazine-1-carboxylic acid - Nitroaromatic compound - 1,4-diazinane - Piperazine - N-alkylpyrrolidine - Methylcarbamate - Pyrrolidine - Tertiary carboxylic acid amide - Carbamic acid ester - Organic nitro compound - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxamide group - 1,2-aminoalcohol - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organofluoride - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Primary alcohol - Alcohol - Carbonyl group - Alkyl fluoride - Amine - Alkyl halide - Organic salt - Hydrocarbon derivative - Aromatic heteromonocyclic 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