chempirical

Nonafluoro-tert-butyl alcohol

C4HF9OCAS 2378-02-1236.04 g/mol

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AlcoholAlkyl halide

Properties

Molecular formula
C4HF9O
Molar mass
236.04 g/mol
Exact mass
235.9884 Da
Density
1.693 g/mL (at 20 °C)
Melting point
−15 °C
Boiling point
45 °C
logP
2.40Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
2378-02-1
SMILES
OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIKey
XZNOAVNRSFURIR-UHFFFAOYSA-N
InChI
InChI=1S/C4HF9O/c5-2(6,7)1(14,3(8,9)10)4(11,12)13/h14H

Weigh it out

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

Names and synonyms

13 names · show all
  • 2-Propanol, 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)-
  • 1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)-2-propanol
  • Perfluoro-tert-butanol
  • Perfluoro-tert-butyl alcohol
  • 2-(Trifluoromethyl)-1,1,1,3,3,3-hexafluoro-2-propanol
  • Nonafluoro-tert-butanol
  • 2,2,2-Trifluoro-1,1-bis(trifluoromethyl)ethanol
  • Perfluoro(2-methyl-2-propanol)
  • Perfluoro-t-butanol
  • Tris(trifluoromethyl)methanol
  • TBOL
  • 1,1-Bis(trifluoromethyl)-2,2,2-trifluoroethanol
  • 1,1-Di(trifluoromethyl)-2,2,2-trifluoroethanol

Work with Nonafluoro-tert-butyl alcohol

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

1,1,1,4,4,4-Hexafluoro-2,3-bis(trifluoromethyl)-2,3-butanediol918-21-883 % 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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