(trifluoromethyl)benzene (CHEBI:36810)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	(trifluoromethyl)benzene

ChEBI ID	CHEBI:36810

Definition	A fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group.

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

Supplier Information

Download	Molfile XML SDF

Formula

C7H5F3

Net Charge

Average Mass

146.10980

Monoisotopic Mass

146.03433

InChI

InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

InChIKey

GETTZEONDQJALK-UHFFFAOYSA-N

SMILES

FC(F)(F)c1ccccc1

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. NMR chemical shift reference compound Any compound that produces a peak used to reference an NMR spectrum during data pre-processing. solvent A liquid that can dissolve other substances (solutes) without any change in their chemical composition.

Application(s):	NMR chemical shift reference compound Any compound that produces a peak used to reference an NMR spectrum during data pre-processing. solvent A liquid that can dissolve other substances (solutes) without any change in their chemical composition.

ChEBI Ontology
Outgoing	(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 NMR chemical shift reference compound (CHEBI:228364) (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	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

Last Modified

09 January 2024