perfluorohexanoic acid (CHEBI:83492)

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ChEBI Name	perfluorohexanoic acid

ChEBI ID	CHEBI:83492

Definition	A monocarboxylic acid that is perfluorinated hexanoic acid.

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

Supplier Information	ChemicalBook:CB2341691, eMolecules:495336, ZINC000038141478

Download	Molfile XML SDF

more structures >>

Formula

C6HF11O2

Net Charge

Average Mass

314.05340

Monoisotopic Mass

313.98009

InChI

InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)

InChIKey

PXUULQAPEKKVAH-UHFFFAOYSA-N

SMILES

OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

ChEBI Ontology
Outgoing	perfluorohexanoic acid (CHEBI:83492) has functional parent hexanoic acid (CHEBI:30776) perfluorohexanoic acid (CHEBI:83492) has role environmental contaminant (CHEBI:78298) perfluorohexanoic acid (CHEBI:83492) has role xenobiotic (CHEBI:35703) perfluorohexanoic acid (CHEBI:83492) is a fluoroalkanoic acid (CHEBI:35551)

IUPAC Name

undecafluorohexanoic acid

Synonym	Source
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid	ChemIDplus

Last Modified

12 November 2014