chempirical

1,1,1,2,2,3,3-Heptafluoro-4-iodobutane

C4H2F7ICAS 374-98-1309.95 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C4H2F7I
Molar mass
309.95 g/mol
Exact mass
309.9089 Da
Density
2.019 g/mL (at 25 °C)
Boiling point
92 °C
logP
3.25Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
374-98-1
SMILES
FC(F)(F)C(F)(F)C(F)(F)CI
InChIKey
AFHPVXVEXINDFS-UHFFFAOYSA-N
InChI
InChI=1S/C4H2F7I/c5-2(6,1-12)3(7,8)4(9,10)11/h1H2

Weigh it out

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

Names and synonyms

3 names
  • Butane, 1,1,1,2,2,3,3-heptafluoro-4-iodo-
  • 2,2,3,3,4,4,4-Heptafluoro-1-iodobutane
  • 1-Iodo-2,2,3,3,4,4,4-heptafluorobutane

Work with 1,1,1,2,2,3,3-Heptafluoro-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-Pentafluoro-3-iodopropane354-69-865 % similar 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane2043-55-250 % similar 2,2,3,3,4,4,4-Heptafluorobutylamine374-99-250 % similar 2,2,3,3,4,4,4-Heptafluorobutanol375-01-950 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane2043-53-048 % similar 1-Iodo-1H,1H,2H,2H-perfluorododecane2043-54-148 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane2043-57-448 % similar 2-(Perfluorobutyl)ethanol2043-47-244 % similar

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

Elsewhere

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