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CHEBI:83492 - perfluorohexanoic acid

ChEBI IDCHEBI:83492
ChEBI Nameperfluorohexanoic acid
Stars
DefinitionA monocarboxylic acid that is perfluorinated hexanoic acid.
Last Modified12 November 2014
DownloadsMolfile
FormulaC6HF11O2
Net Charge0
Average Mass314.050
Monoisotopic Mass313.98009
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=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)
InChIKeyPXUULQAPEKKVAH-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
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 (Brønsted base).
Biological Role:
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 Relation(s)
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 acidChemIDplus
Registry NumbersSources
Reaxys:1805852Reaxys
CAS:307-24-4ChemIDplus
Citations