EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:90633 - perfluorododecanoic acid

ChEBI IDCHEBI:90633
ChEBI Nameperfluorododecanoic acid
Stars
DefinitionA fluoroalkanoic acid that is dodecanoic acid in which all of the hydrogens attached to carbon atoms are replaced by fluorines. It is a highly persistent, bioaccumulative breakdown product of stain- and grease-proof coatings on food packaging, soft furnishings and carpets.
Last Modified3 December 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC12HF23O2
Net Charge0
Average Mass614.092
Monoisotopic Mass613.96093
SMILESO=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)
InChIKeyCXGONMQFMIYUJR-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).
ChEBI Ontology
Outgoing Relation(s)
perfluorododecanoic acid (CHEBI:90633) has functional parent dodecanoic acid (CHEBI:30805)
perfluorododecanoic acid (CHEBI:90633) has role environmental contaminant (CHEBI:78298)
perfluorododecanoic acid (CHEBI:90633) is a fluoroalkanoic acid (CHEBI:35551)
IUPAC Name 
tricosafluorododecanoic acid
Synonyms  Source
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acidChemIDplus
perfluorolauric acidChemIDplus
n-C11F23CO2HChEBI
n-C11F23COOHChEBI
C11F23COOHChEBI
C11F23CO2HChEBI
Registry NumbersSources
Reaxys:1811257Reaxys
CAS:307-55-1ChemIDplus
CAS:307-55-1NIST Chemistry WebBook
Citations