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CHEBI:40750 - 4-trifluoromethylaniline

ChEBI IDCHEBI:40750
ChEBI Name4-trifluoromethylaniline
Stars
DefinitionA substituted aniline that is a benzene ring substituted with an amino group at position 1 and a trifluoromethyl group at position 4.
Last Modified3 November 2014
DownloadsMolfile
FormulaC7H6F3N
Net Charge0
Average Mass161.126
Monoisotopic Mass161.04523
SMILESNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2
InChIKeyODGIMMLDVSWADK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
4-trifluoromethylaniline (CHEBI:40750) has role metabolite (CHEBI:25212)
4-trifluoromethylaniline (CHEBI:40750) is a (trifluoromethyl)benzenes (CHEBI:83565)
4-trifluoromethylaniline (CHEBI:40750) is a substituted aniline (CHEBI:48975)
IUPAC Name 
4-(trifluoromethyl)aniline
Synonym  Source
p-(trifluoromethyl)anilineChEBI
Registry NumbersSources
Reaxys:1564853Reaxys
CAS:455-14-1ChemIDplus
Citations