Compound Identification
SMILES
[O-]S(=O)(=O)C(F)(F)F.C[N+]1(C2C=CC(=O)C1CC2C1=CC=C(Br)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=WYMHBFYEDOUICE-UHFFFAOYSA-M
Formula
C21H19BrF3NO4S
Mass
518.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Trifluoromethanesulfonates Aniline and substituted anilines Aralkylamines Bromobenzenes Aryl bromides N-alkylpyrrolidines Sulfonyls Pyrroles Organosulfonic acids Methanesulfonates Trihalomethanes Ketones Azacyclic compounds Alkyl fluorides Organic oxides Organobromides Organofluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
1-phenylpyrrolidine - 3-phenylpyrrolidine - Trifluoromethanesulfonate - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Benzenoid - Aryl halide - N-alkylpyrrolidine - Monocyclic benzene moiety - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Methanesulfonate - Trihalomethane - Ketone - Azacycle - Organic oxide - Halomethane - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Alkyl halide - Carbonyl group - Alkyl fluoride - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available