chempirical

1,1,1,2,2-Pentafluoro-4-iodobutane

C4H4F5ICAS 40723-80-6273.97 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C4H4F5I
Molar mass
273.97 g/mol
Exact mass
273.9278 Da
Boiling point
100 °C
logP
3.01Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
40723-80-6
SMILES
FC(F)(F)C(F)(F)CCI
InChIKey
PPXVPFPTMXFUDE-UHFFFAOYSA-N
InChI
InChI=1S/C4H4F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H2

Weigh it out

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

Names and synonyms

8 names
  • Butane, 1,1,1,2,2-pentafluoro-4-iodo-
  • 3,3,4,4,4-Pentafluorobutyl iodide
  • 2-(Perfluoroethyl)ethyl iodide
  • 4-Iodo-1,1,1,2,2-pentafluorobutane
  • Perfluoroethylethyl iodide
  • 1,1,2,2-Tetrahydroperfluorobutyl iodide
  • 1-Iodo-3,3,4,4,4-pentafluorobutane
  • 3,3,4,4,4-Pentafluoro-1-iodobutane

Work with 1,1,1,2,2-Pentafluoro-4-iodobutane

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

1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane2043-55-265 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane2043-53-063 % similar 1-Iodo-1H,1H,2H,2H-perfluorododecane2043-54-163 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane2043-57-463 % similar 1,1,1,2,2-Pentafluoro-3-iodopropane354-69-852 % similar 1,1,1-Trifluoro-3-iodopropane460-37-748 % similar 4,4,5,5,5-Pentafluoro-1-pentanol148043-73-644 % similar 1,1,1,2,2,3,3-Heptafluoro-4-iodobutane374-98-140 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook