chempirical

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

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+]
InChIKey
ORWIEAKWZZIQKG-UHFFFAOYSA-N
InChI
InChI=1S/C8HF15O2.Na/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);

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

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 Perfluorooctanoic acid335-67-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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