EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:36810 - (trifluoromethyl)benzene

Default Structure
ChEBI IDCHEBI:36810
ChEBI Name(trifluoromethyl)benzene
Stars
DefinitionA fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group.
Last Modified7 August 2024
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H5F3
Net Charge0
Average Mass146.111
Monoisotopic Mass146.03433
SMILESFC(F)(F)c1ccccc1
InChIInChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKeyGETTZEONDQJALK-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
solvent  A liquid that can dissolve other substances (solutes) without any change in their chemical composition.
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Application:
solvent  A liquid that can dissolve other substances (solutes) without any change in their chemical composition.
ChEBI Ontology
Outgoing Relation(s)
(trifluoromethyl)benzene (CHEBI:36810) has functional parent fluoroform (CHEBI:41550)
(trifluoromethyl)benzene (CHEBI:36810) has role environmental contaminant (CHEBI:78298)
(trifluoromethyl)benzene (CHEBI:36810) has role solvent (CHEBI:46787)
(trifluoromethyl)benzene (CHEBI:36810) is a (trifluoromethyl)benzenes (CHEBI:83565)
(trifluoromethyl)benzene (CHEBI:36810) is a fluorohydrocarbon (CHEBI:46695)
Incoming Relation(s)
4-(trifluoromethyl)phenol (CHEBI:42578) has functional parent (trifluoromethyl)benzene (CHEBI:36810)
flufenamate (CHEBI:520819) has functional parent (trifluoromethyl)benzene (CHEBI:36810)
flufenamic acid (CHEBI:42638) has functional parent (trifluoromethyl)benzene (CHEBI:36810)
fluoxetine (CHEBI:5118) has functional parent (trifluoromethyl)benzene (CHEBI:36810)
fluvoxamine (CHEBI:5138) has functional parent (trifluoromethyl)benzene (CHEBI:36810)
IUPAC Name 
(trifluoromethyl)benzene
Synonyms  Source
benzotrifluorideChemIDplus
CF3PhChEBI
C6H5CF3ChEBI
PhCF3ChEBI
phenylfluoroformNIST Chemistry WebBook
trifluoromethylbenzeneChemIDplus
Registry NumbersSources
Reaxys:1906908Reaxys
Gmelin:3670Gmelin
CAS:98-08-8ChemIDplus
CAS:98-08-8NIST Chemistry WebBook
Citations