chempirical

Tris(pentafluorophenyl)borane

C18BF15CAS 1109-15-5511.98 g/mol

Open in Covalent MOL file
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Aryl halide

Properties

Molecular formula
C18BF15
Molar mass
511.98 g/mol
Exact mass
511.9854 Da
Melting point
126–131 °C
logP
4.29Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Identifiers

CAS number
1109-15-5
SMILES
Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIKey
OBAJXDYVZBHCGT-UHFFFAOYSA-N
InChI
InChI=1S/C18BF15/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25

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Names and synonyms

10 names
  • Borane, tris(2,3,4,5,6-pentafluorophenyl)-
  • Borane, tris(pentafluorophenyl)-
  • Tris(2,3,4,5,6-pentafluorophenyl)borane
  • Perfluorotriphenylboron
  • Tris(pentafluorophenyl)boron
  • Tri(pentafluorophenyl)boron
  • Tris(perfluorophenyl)borane
  • Tri(perfluorophenyl)borane
  • BF 15
  • Tris(perfluorophenyl)boron

Work with Tris(pentafluorophenyl)borane

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

Hexafluorobenzene392-56-350 % similar Octafluoronaphthalene313-72-440 % similar Decafluorobiphenyl434-90-240 % similar Bromopentafluorobenzene344-04-735 % similar 1,2-Dibromotetrafluorobenzene827-08-735 % similar 1,1′-Thiobis[2,3,4,5,6-pentafluorobenzene]1043-50-133 % similar Tris(pentafluorophenyl)phosphine1259-35-433 % similar 1,3-Dibromo-2,4,5,6-tetrafluorobenzene1559-87-133 % similar

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

Elsewhere

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