chempirical

1-Octyl-3-methylimidazolium hexafluorophosphate

C12H23F6N2PCAS 304680-36-2340.29 g/mol

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Properties

Molecular formula
C12H23F6N2P
Molar mass
340.29 g/mol
Exact mass
340.1503 Da
Density
1.21 g/mL
Melting point
−70 °C
logP
6.06Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

Identifiers

CAS number
304680-36-2
SMILES
CCCCCCCCn1cc[n+](C)c1.F[P-](F)(F)(F)(F)F
InChIKey
GRCIJNHHTXBJAK-UHFFFAOYSA-N
InChI
InChI=1S/C12H23N2.F6P/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;1-7(2,3,4,5)6/h10-12H,3-9H2,1-2H3;/q+1;-1

Weigh it out

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

Names and synonyms

11 names
  • 1H-Imidazolium, 1-methyl-3-octyl-, hexafluorophosphate(1-) (1:1)
  • 1H-Imidazolium, 1-methyl-3-octyl-, hexafluorophosphate(1-)
  • 1-Methyl-3-octylimidazolium hexafluorophosphate
  • 1-n-Octyl-3-methylimidazolium hexafluorophosphate
  • 1-Methyl-3-octyl-1H-imidazolium hexafluorophosphate(1-)
  • [Omim]PF6
  • 1-Methyl-3-octyl-1H-imidazolium hexafluorophosphate
  • 1-Octyl-3-methylimidazolium hexafluorophosphate(1-)
  • 1-Octyl-3-methylimidazolium hexaflurophosphate
  • 1-Methyl-3-octylimidazolium hexafluorophosphate(1-)
  • 1-Methyl-3-n-octylimidazolium Hexafluorophosphate

Work with 1-Octyl-3-methylimidazolium hexafluorophosphate

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

1-Butyl-3-methylimidazolium hexafluorophosphate174501-64-588 % similar 1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-575 % similar 1-Hexadecyl-3-methylimidazolium bromide132361-22-975 % similar 1-Decyl-3-methylimidazolium chloride171058-18-775 % similar 1-Octyl-3-methylimidazolium chloride64697-40-175 % similar 1-Butyl-3-methylimidazolium chloride79917-90-165 % similar 1-Butyl-3-methylimidazolium bromide85100-77-265 % similar 1-Butyl-3-methylimidazolium tetrafluoroborate174501-65-664 % similar

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

Elsewhere

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