chempirical

1-Fluoro-2,4,6-trimethylpyridinium tetrafluoroborate

C8H11BF5NCAS 109705-14-8226.99 g/mol

Open in Covalent MOL file
B−FFFFN+F

Properties

Molecular formula
C8H11BF5N
Molar mass
226.99 g/mol
Exact mass
227.0905 Da
logP
2.93Crippen estimate
Polar surface area
3.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
109705-14-8
SMILES
[B-](F)(F)(F)F.CC1=CC(=[N+](C(=C1)C)F)C
InChIKey
RRNLYYDDEUOXBB-UHFFFAOYSA-N
InChI
InChI=1S/C8H11FN.BF4/c1-6-4-7(2)10(9)8(3)5-6;2-1(3,4)5/h4-5H,1-3H3;/q+1;-1

Weigh it out

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

Work with 1-Fluoro-2,4,6-trimethylpyridinium tetrafluoroborate

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-Fluoro-2,4,6-trimethylpyridinium triflate107264-00-649 % similar 2,4,6-Trimethylpyrylium fluoborate773-01-347 % similar Mesitylene108-67-833 % similar 2,4,6-Trimethylpyridine108-75-831 % similar 3,5-Difluorotoluene117358-51-731 % similar Isodurene527-53-731 % similar Iodomesitylene4028-63-130 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook