chempirical

Tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphate

C15H9F24O4PCAS 355-86-2740.17 g/mol

Open in Covalent MOL file
OPOFFFFFFFFOFFFFFFFFOFFFFFFFF
Alkyl halidePhosphate

Properties

Molecular formula
C15H9F24O4P
Molar mass
740.17 g/mol
Exact mass
739.9855 Da
Density
1.7641 g/mL (at 20 °C)
Melting point
−45 °C
Boiling point
295–302 °C
logP
8.66Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
18

Identifiers

CAS number
355-86-2
SMILES
O=P(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIKey
BSOLVVCARHZLMT-UHFFFAOYSA-N
InChI
InChI=1S/C15H9F24O4P/c16-4(17)10(28,29)13(34,35)7(22,23)1-41-44(40,42-2-8(24,25)14(36,37)11(30,31)5(18)19)43-3-9(26,27)15(38,39)12(32,33)6(20)21/h4-6H,1-3H2

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

Names and synonyms

2 names
  • 1-Pentanol, 2,2,3,3,4,4,5,5-octafluoro-, phosphate (3:1)
  • Tris(1,1,5-Trihydroperfluoropentyl) phosphate

Work with Tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphate

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

2,2,3,3,4,4,5,5-Octafluoro-1-pentanol355-80-650 % similar 1H,1H,5H-Octafluoropentyl acrylate376-84-149 % similar 2,2,3,3,4,4,5,5-Octafluoropentyl methacrylate355-93-147 % similar 1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluorohexane336-07-245 % similar 3-(1H,1H,9H-Hexadecafluorononyloxy)-1,2-epoxypropane125370-60-744 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Eicosafluoro-1-undecanol307-70-043 % similar 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-1-heptanol335-99-943 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1-nonanol376-18-143 % similar

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

Elsewhere

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