CHEBI:35546 - perfluorodecanoic acid

ChEBI IDCHEBI:35546
ChEBI Nameperfluorodecanoic acid
Stars
DefinitionA fluoroalkanoic acid that is perfluorinated decanoic acid.
Last Modified12 November 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10HF19O2
Net Charge0
Average Mass514.078
Monoisotopic Mass513.96732
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)F
InChIInChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)
InChIKeyPCIUEQPBYFRTEM-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)
perfluorodecanoic acid (CHEBI:35546) has functional parent decanoic acid (CHEBI:30813)
perfluorodecanoic acid (CHEBI:35546) has role environmental contaminant (CHEBI:78298)
perfluorodecanoic acid (CHEBI:35546) has role xenobiotic (CHEBI:35703)
perfluorodecanoic acid (CHEBI:35546) is a fluoroalkanoic acid (CHEBI:35551)
IUPAC Name 
nonadecafluorodecanoic acid
Synonyms  Source
NdfdaChemIDplus
nonadecafluoro-n-decanoic acidChemIDplus
PFDAChemIDplus
perfluoro-n-decanoic acidChemIDplus
perfluorodecanoic acidChemIDplus
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acidNIST Chemistry WebBook
Registry NumbersSources
Gmelin:35659Gmelin
Reaxys:1810811Reaxys
CAS:335-76-2NIST Chemistry WebBook
CAS:335-76-2ChemIDplus
Citations