chempirical

1-Fluoro-4-methyl-1,4-diazabicyclo(2.2.2)octane-1,4-diium ditetrafluoroborate

C7H15B2F9N2CAS 159269-48-4319.82 g/mol

Open in Covalent MOL file
B−FFFFB−FFFFN+N+F
Quaternary ammonium

Properties

Molecular formula
C7H15B2F9N2
Molar mass
319.82 g/mol
Exact mass
320.1278 Da
logP
2.76Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

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
159269-48-4
SMILES
[B-](F)(F)(F)F.[B-](F)(F)(F)F.C[N+]12CC[N+](CC1)(CC2)F
InChIKey
IOFVFPDMQWZSPW-UHFFFAOYSA-N
InChI
InChI=1S/C7H15FN2.2BF4/c1-9-2-5-10(8,6-3-9)7-4-9;2*2-1(3,4)5/h2-7H2,1H3;;/q+2;2*-1

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Names and synonyms

1 names
  • 1,4-Diazoniabicyclo[2.2.2]octane, 1-fluoro-4-methyl-, tetrafluoroborate(1-) (1:2)

Work with 1-Fluoro-4-methyl-1,4-diazabicyclo(2.2.2)octane-1,4-diium ditetrafluoroborate

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

Selectfluor140681-55-650 % similar Triethylmethylammonium tetrafluoroborate69444-47-948 % similar Tetramethylammonium tetrafluoroborate661-36-941 % similar Tetraethylammonium tetrafluoroborate429-06-135 % similar Tetrabutylammonium tetrafluoroborate429-42-534 % similar Tetrafluoroboric acid16872-11-030 % similar

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

Elsewhere

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