CHEBI:40750 - 4-trifluoromethylaniline

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ChEBI Name 4-trifluoromethylaniline
Definition A substituted aniline that is a benzene ring substituted with an amino group at position 1 and a trifluoromethyl group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H6F3N
Net Charge 0
Average Mass 161.12440
Monoisotopic Mass 161.04523
InChI InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2
SMILES Nc1ccc(cc1)C(F)(F)F
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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)
Synonym Source
p-(trifluoromethyl)aniline ChEBI
Registry Numbers Types Sources
1564853 Reaxys Registry Number Reaxys
455-14-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22882828 PubMed citation Europe PMC
Last Modified
03 November 2014