chempirical

1-Butyl-3-methylimidazolium hexafluorophosphate

C8H15F6N2PCAS 174501-64-5284.19 g/mol

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Properties

Molecular formula
C8H15F6N2P
Molar mass
284.19 g/mol
Exact mass
284.0877 Da
Density
1.4 g/mL
Melting point
10.36 °C
logP
4.50Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Identifiers

CAS number
174501-64-5
SMILES
CCCCn1cc[n+](C)c1.F[P-](F)(F)(F)(F)F
InChIKey
IXQYBUDWDLYNMA-UHFFFAOYSA-N
InChI
InChI=1S/C8H15N2.F6P/c1-3-4-5-10-7-6-9(2)8-10;1-7(2,3,4,5)6/h6-8H,3-5H2,1-2H3;/q+1;-1

Weigh it out

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

Names and synonyms

18 names · show all
  • 1H-Imidazolium, 1-butyl-3-methyl-, hexafluorophosphate(1-)
  • 1H-Imidazolium, 3-butyl-1-methyl-, hexafluorophosphate(1-) (1:1)
  • 1-Butyl-3-methyl-1H-imidazolium hexafluorophosphate
  • 1-n-Butyl-3-methylimidazolium hexafluorophosphate
  • 3-Butyl-1-methylimidazolium hexafluorophosphate
  • 1-Butyl-3-methyl-1H-imidazolium hexafluorophosphate(1-)
  • BmimPF6
  • 1-Methyl-3-butyl imidazolium hexafluorophosphate
  • 1-Butyl-3-methylimidazolium hexafluorophosphate(1-)
  • N-Butyl-N′-methylimidazolium hexafluorophosphate
  • LP 104
  • Bmim hexafluorophosphate
  • Bmim hexafluorophosphate(1-)
  • BMI-PF 6
  • 1-Butyl-3-methylimidazolinium hexafluorophosphate
  • Butylmethylimidazolium hexafluorophosphate
  • [C4Mim+][PF6-]
  • 3-Butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate

Work with 1-Butyl-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-Octyl-3-methylimidazolium hexafluorophosphate304680-36-288 % similar 1-Butyl-3-methylimidazolium chloride79917-90-174 % similar 1-Butyl-3-methylimidazolium bromide85100-77-274 % similar 1-Butyl-3-methylimidazolium tetrafluoroborate174501-65-672 % similar 1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-565 % similar 1-Hexadecyl-3-methylimidazolium bromide132361-22-965 % similar 1-Decyl-3-methylimidazolium chloride171058-18-765 % similar 1-Octyl-3-methylimidazolium chloride64697-40-165 % similar

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

Elsewhere

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