Perfluorooctanoic acid sodium salt

C8F15NaO2CAS 335-95-5436.05 g/mol

Open in Covalent MOL file
O−OFFFFFFFFFFFFFFFNa+
Alkyl halideCarboxylic acid

Properties

Molecular formula
C8F15NaO2
Molar mass
436.05 g/mol
Exact mass
435.9556 Da
logP
4.06Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
335-95-5
SMILES
[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, sodium salt (1:1)
  • Octanoic acid, pentadecafluoro-, sodium salt
  • Sodium perfluorocaprylate
  • Sodium perfluorooctanoate
  • Sodium pentadecafluorooctanoate
  • SPFO
  • FF 61

Work with Perfluorooctanoic acid sodium salt

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Perfluorooctanoic acid335-67-1Free acid Ammonium perfluorooctanoate3825-26-1Salt

Similar compounds

Sodium heptafluorobutyrate2218-54-485 % similar Sodium pentafluoropropionate378-77-868 % similar Silver heptafluorobutyrate3794-64-767 % similar Perfluorooctadecanoic acid16517-11-648 % similar Perfluorohexanoic acid307-24-448 % similar Perfluorododecanoic acid307-55-148 % similar Perfluorooctanoyl chloride335-64-848 % similar Perfluorodecanoic acid335-76-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook