chempirical

Perfluorohexyloctane

C14H17F13CAS 133331-77-8432.27 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C14H17F13
Molar mass
432.27 g/mol
Exact mass
432.1123 Da
Density
1.331 g/mL (at 25 °C)
Melting point
4.96 °C
Boiling point
340 °C
logP
7.48Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
11

Identifiers

CAS number
133331-77-8
SMILES
CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
WRYIIOKOQSICTB-UHFFFAOYSA-N
InChI
InChI=1S/C14H17F13/c1-2-3-4-5-6-7-8-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2-8H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Tetradecane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-
  • 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorotetradecane
  • F 6H8
  • 8-(Perfluorohexyl)octane
  • 1-(Perfluorohexyl)octane

Work with Perfluorohexyloctane

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

4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-nonanol80806-68-456 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane2043-53-050 % similar 1-Iodo-1H,1H,2H,2H-perfluorododecane2043-54-150 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane2043-57-450 % similar 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol34451-26-850 % similar 2-(Perfluorohexyl)ethanol647-42-750 % similar (Perfluorooctyl)ethanol678-39-750 % similar 1H,1H,2H,2H-Perfluorodecyltriethoxysilane101947-16-449 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook