chempirical

1,1,1,4,4,4-Hexafluoro-2,3-bis(trifluoromethyl)-2,3-butanediol

C6H2F12O2CAS 918-21-8334.06 g/mol

Open in Covalent MOL file
OHFFFFFFOHFFFFFF
AlcoholAlkyl halide

Properties

Molecular formula
C6H2F12O2
Molar mass
334.06 g/mol
Exact mass
333.9863 Da
Melting point
26 °C
Boiling point
129 °C
logP
2.70Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
918-21-8
SMILES
OC(C(F)(F)F)(C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F
InChIKey
GKDCWKGUOZVDFX-UHFFFAOYSA-N
InChI
InChI=1S/C6H2F12O2/c7-3(8,9)1(19,4(10,11)12)2(20,5(13,14)15)6(16,17)18/h19-20H

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

Names and synonyms

5 names
  • 2,3-Butanediol, 1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-
  • Perfluoropinacol
  • Perfluoropinacone
  • Dodecafluoropinacol
  • 1,1,2,2-Tetra(trifluoromethyl)ethane-1,2-diol

Work with 1,1,1,4,4,4-Hexafluoro-2,3-bis(trifluoromethyl)-2,3-butanediol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Nonafluoro-tert-butyl alcohol2378-02-183 % similar Hexafluoroethane76-16-442 % similar 1,1,1-Trifluoro-2-methyl-2-propanol507-52-839 % similar Perfluorobutane355-25-933 % similar Octafluoropropane76-19-733 % similar Perfluorooctane307-34-631 % similar Perfluorododecane307-59-531 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Triacontafluorotetradecane307-62-031 % similar

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

Elsewhere

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