4-(trifluoromethyl)phenol (CHEBI:42578)

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ChEBI Name	4-(trifluoromethyl)phenol

ChEBI ID	CHEBI:42578

Definition	A member of the class of (trifluoromethyl)benzenes that is p-cresol in which the methyl group is perfluorinated. It is a metabolite of the drug fluoxetine.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:36811, CHEBI:42573

Supplier Information

Download	Molfile XML SDF

Formula

C7H5F3O

Net Charge

Average Mass

162.10920

Monoisotopic Mass

162.02925

InChI

InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H

InChIKey

BAYGVMXZJBFEMB-UHFFFAOYSA-N

SMILES

Oc1ccc(cc1)C(F)(F)F

Roles Classification
Biological Role(s):	drug metabolite marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.

ChEBI Ontology
Outgoing	4-(trifluoromethyl)phenol (CHEBI:42578) has functional parent (trifluoromethyl)benzene (CHEBI:36810) 4-(trifluoromethyl)phenol (CHEBI:42578) has functional parent p-cresol (CHEBI:17847) 4-(trifluoromethyl)phenol (CHEBI:42578) has role drug metabolite (CHEBI:49103) 4-(trifluoromethyl)phenol (CHEBI:42578) has role marine xenobiotic metabolite (CHEBI:83399) 4-(trifluoromethyl)phenol (CHEBI:42578) is a (trifluoromethyl)benzenes (CHEBI:83565) 4-(trifluoromethyl)phenol (CHEBI:42578) is a phenols (CHEBI:33853)

IUPAC Name

4-(trifluoromethyl)phenol

Synonyms	Sources
4-hydroxybenzotrifluoride	NIST Chemistry WebBook
4-trifluoromethylphenol	ChemIDplus
ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	PDBeChem
α,α,α-trifluoro-p-cresol	NIST Chemistry WebBook

Last Modified

10 November 2014