chempirical

1,1,1,2,3,3,4,4-Octafluoro-4-iodo-2-(trifluoromethyl)butane

C5F11ICAS 1514-90-5395.94 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C5F11I
Molar mass
395.94 g/mol
Exact mass
395.8869 Da
Boiling point
94 °C
logP
4.48Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
1514-90-5
SMILES
FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)I
InChIKey
UMPRKACBONFPEQ-UHFFFAOYSA-N
InChI
InChI=1S/C5F11I/c6-1(3(9,10)11,4(12,13)14)2(7,8)5(15,16)17

Weigh it out

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

Names and synonyms

4 names
  • Butane, 1,1,1,2,3,3,4,4-octafluoro-4-iodo-2-(trifluoromethyl)-
  • Butane, octafluoro-1-iodo-3-(trifluoromethyl)-
  • 1,1,2,2,3,4,4,4-Octafluoro-3-(trifluoromethyl)butyl iodide
  • 1-Iodoperfluoro(3-methylbutane)

Work with 1,1,1,2,3,3,4,4-Octafluoro-4-iodo-2-(trifluoromethyl)butane

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

1,1,1,2,3,3,4,4,5,5,6,6-Dodecafluoro-6-iodo-2-(trifluoromethyl)hexane3486-08-681 % similar 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-8-iodo-2-(trifluoromethyl)octane865-77-081 % similar Perfluoropropyl iodide754-34-765 % similar Perfluorobutyl iodide423-39-262 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-7-iodoheptane335-58-059 % similar Perfluorohexyl iodide355-43-159 % similar Perfluorodecyl iodide423-62-159 % similar Perfluorooctyl iodide507-63-159 % similar

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

Elsewhere

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