4-fluoro-2-(trifluoromethyl)aniline (CHEBI:230764)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	4-fluoro-2-(trifluoromethyl)aniline

ChEBI ID	CHEBI:230764

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C7H5F4N

Net Charge

Average Mass

179.118

Monoisotopic Mass

179.03581

InChI

InChI=1S/C7H5F4N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2

InChIKey

LRCQLCWUUBSUOY-UHFFFAOYSA-N

SMILES

FC(F)(F)C1=C(N)C=CC(F)=C1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	4-fluoro-2-(trifluoromethyl)aniline (CHEBI:230764) is a organic molecular entity (CHEBI:50860)

IUPAC Name

4-luoro-2-(triluoromethyl)aniline