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CHEBI:42578 - 4-(trifluoromethyl)phenol

ChEBI IDCHEBI:42578
ChEBI Name4-(trifluoromethyl)phenol
Stars
DefinitionA 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.
Secondary ChEBI IDsCHEBI:36811, CHEBI:42573
Last Modified10 November 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H5F3O
Net Charge0
Average Mass162.110
Monoisotopic Mass162.02925
SMILESOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H
InChIKeyBAYGVMXZJBFEMB-UHFFFAOYSA-N
Roles Classification
Biological Roles:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
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  Source
4-trifluoromethylphenolChemIDplus
α,α,α-trifluoro-p-cresolNIST Chemistry WebBook
ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLPDBeChem
4-hydroxybenzotrifluorideNIST Chemistry WebBook
Manual XrefsDatabases
FCRPDBeChem
Registry NumbersSources
Reaxys:1637019Reaxys
CAS:402-45-9ChemIDplus
CAS:402-45-9NIST Chemistry WebBook
Citations