chempirical

Tetrabutylammonium fluoride trihydrate

C16H42FNO3CAS 87749-50-6315.51 g/mol

Open in Covalent MOL file
N+H2OH2OH2OF−
Quaternary ammonium

Properties

Molecular formula
C16H42FNO3
Molar mass
315.51 g/mol
Exact mass
315.3149 Da
logP
-0.47Crippen estimate
Polar surface area
94.5 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
12

Identifiers

CAS number
87749-50-6
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.O.O.O.[F-]
InChIKey
VEPTXBCIDSFGBF-UHFFFAOYSA-M
InChI
InChI=1S/C16H36N.FH.3H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;/h5-16H2,1-4H3;1H;3*1H2/q+1;;;;/p-1

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

Names and synonyms

2 names
  • 1-Butanaminium, N,N,N-tributyl-, fluoride, hydrate (1:1:3)
  • 1-Butanaminium, N,N,N-tributyl-, fluoride, trihydrate

Work with Tetrabutylammonium fluoride trihydrate

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

Tetra-N-butylammonium fluoride429-41-484 % similar Tetrabutylammonium chloride1112-67-059 % similar Tetrabutylammonium bromide1643-19-259 % similar Tetrabutylammonium hydroxide2052-49-559 % similar Tetra-N-butylammonium iodide311-28-459 % similar Tetrabutylammonium borohydride33725-74-559 % similar Tetrabutylammonium perchlorate1923-70-252 % similar Tetrabutylammonium hexafluorophosphate3109-63-552 % similar

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

Elsewhere

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