chempirical

1-Butyl-2,3-dimethylimidazolium hexafluorophosphate

C9H17F6N2PCAS 227617-70-1298.21 g/mol

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Properties

Molecular formula
C9H17F6N2P
Molar mass
298.21 g/mol
Exact mass
298.1034 Da
logP
4.80Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

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
227617-70-1
SMILES
CCCCN1C=C[N+](=C1C)C.F[P-](F)(F)(F)(F)F
InChIKey
JWFPQAXAGSAKRF-UHFFFAOYSA-N
InChI
InChI=1S/C9H17N2.F6P/c1-4-5-6-11-8-7-10(3)9(11)2;1-7(2,3,4,5)6/h7-8H,4-6H2,1-3H3;/q+1;-1

Weigh it out

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

Work with 1-Butyl-2,3-dimethylimidazolium 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

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.

1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide350493-08-2Salt 1-Butyl-2,3-dimethylimidazolium bromide475575-45-2Salt 1-Butyl-2,3-dimethylimidazolium tetrafluoroborate402846-78-0Salt

Similar compounds

1-Ethyl-2,3-dimethylimidazolium hexafluorophosphate292140-86-468 % similar 1-Hexyl-2,3-dimethylimidazolium bromide411222-01-068 % similar 1-Hexyl-2,3-dimethylimidazolium chloride455270-59-468 % similar 1-Hexyl-2,3-dimethylimidazolium tetrafluoroborate384347-21-167 % similar 1,2-Dimethyl-3-propylimidazolium iodide218151-78-162 % similar 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide169051-76-750 % similar 1-Ethyl-2,3-dimethylimidazolium tetrafluoroborate307492-75-749 % similar 1-Ethyl-2,3-dimethylimidazolium bromide98892-76-349 % similar

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

Elsewhere

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