chempirical

Tris(2,2,2-trifluoroethyl) borate

C6H6BF9O3CAS 659-18-7307.91 g/mol

Open in Covalent MOL file
FFFOBOFFFOFFF
Alkyl halide

Properties

Molecular formula
C6H6BF9O3
Molar mass
307.91 g/mol
Exact mass
308.0266 Da
Boiling point
43 °C (at 60 Torr)
logP
2.71Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
659-18-7
SMILES
FC(F)(F)COB(OCC(F)(F)F)OCC(F)(F)F
InChIKey
DIEXQJFSUBBIRP-UHFFFAOYSA-N
InChI
InChI=1S/C6H6BF9O3/c8-4(9,10)1-17-7(18-2-5(11,12)13)19-3-6(14,15)16/h1-3H2

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

Names and synonyms

4 names
  • Ethanol, 2,2,2-trifluoro-, 1,1′,1′′-triester with boric acid (H3BO3)
  • Ethanol, 2,2,2-trifluoro-, triester with boric acid (H3BO3)
  • Ethanol, 2,2,2-trifluoro-, borate
  • Tris(2,2,2-trifluoroethoxy)boron

Work with Tris(2,2,2-trifluoroethyl) borate

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

1,1′-Oxybis[2,2,2-trifluoroethane]333-36-850 % similar 2,2,2-Trifluoroethyl difluoromethyl ether1885-48-939 % similar Fluroxene406-90-638 % similar 1,4-Bis(2,2,2-trifluoroethoxy)benzene66300-61-638 % similar 1,1,2,2-Tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane406-78-035 % similar 2,2,2-Trifluoroethyl methanesulfonate25236-64-033 % similar 2,2,2-Trifluoroethyl trifluoroacetate407-38-533 % similar 2,2,2-Trifluoroethyl trifluoromethanesulfonate6226-25-133 % similar

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

Elsewhere

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