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CHEBI:39421 - perfluorooctane-1-sulfonic acid

Default Structure
ChEBI IDCHEBI:39421
ChEBI Nameperfluorooctane-1-sulfonic acid
Stars
DefinitionA perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons have been replaced by fluorines.
Last Modified3 March 2026
Submitterhcourrier
DownloadsMolfile
FormulaC8HF17O3S
Net Charge0
Average Mass500.126
Monoisotopic Mass499.93749
SMILESO=S(=O)(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)F
InChIInChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)
InChIKeyYFSUTJLHUFNCNZ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
persistent organic pollutant  Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains.
ChEBI Ontology
Outgoing Relation(s)
perfluorooctane-1-sulfonic acid (CHEBI:39421) has functional parent octane-1-sulfonic acid (CHEBI:39422)
perfluorooctane-1-sulfonic acid (CHEBI:39421) has role persistent organic pollutant (CHEBI:77853)
perfluorooctane-1-sulfonic acid (CHEBI:39421) is a perfluoroalkanesulfonic acid (CHEBI:132447)
Incoming Relation(s)
perfluorooctane sulfonamidoacetic acid (CHEBI:83505) has functional parent perfluorooctane-1-sulfonic acid (CHEBI:39421)
sulfluramid (CHEBI:81945) has functional parent perfluorooctane-1-sulfonic acid (CHEBI:39421)
IUPAC Name 
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
Synonyms  Source
1-perfluorooctanesulfonic acidChemIDplus
heptadecafluoro-1-octanesulfonic acidChemIDplus
perfluorooctanesulfonic acidHMDB
perfluorooctylsulfonic acidChemIDplus
Perfluorooctylsulfonic acidKEGG COMPOUND
PFOSChemIDplus
Manual XrefsDatabases
C18142KEGG COMPOUND
HMDB0059586HMDB
Perfluorooctanesulfonic_acidWikipedia
Registry NumbersSources
Reaxys:1813859Reaxys
Gmelin:580137Gmelin
CAS:1763-23-1ChemIDplus
CAS:1763-23-1KEGG COMPOUND