chempirical

Sodium heptafluorobutyrate

C4F7NaO2CAS 2218-54-4236.02 g/mol

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

Properties

Molecular formula
C4F7NaO2
Molar mass
236.02 g/mol
Exact mass
235.9684 Da
logP
1.52Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
2218-54-4
SMILES
[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)F.[Na+]
InChIKey
VATRZIAOBDOSNN-UHFFFAOYSA-N
InChI
InChI=1S/C4HF7O2.Na/c5-2(6,1(12)13)3(7,8)4(9,10)11;/h(H,12,13);

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Names and synonyms

7 names
  • Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, sodium salt (1:1)
  • Butyric acid, heptafluoro-, sodium salt
  • Butanoic acid, heptafluoro-, sodium salt
  • Sodium perfluorobutyrate
  • Sodium heptafluorobutanoate
  • Sodium perfluorobutanoate
  • Heptafluorobutyric acid sodium salt

Work with Sodium heptafluorobutyrate

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

Perfluorooctanoic acid sodium salt335-95-585 % similar Silver heptafluorobutyrate3794-64-778 % similar Sodium pentafluoropropionate378-77-873 % similar Sodium trifluoroacetate2923-18-450 % similar Sodium chlorodifluoroacetate1895-39-245 % similar Heptafluorobutyric anhydride336-59-445 % similar 3,3,4,4,5,5,5-Heptafluoro-2-pentanone355-17-945 % similar Heptafluorobutyryl chloride375-16-645 % similar

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

Elsewhere

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