1,1,1,2,2-Pentafluoro-3-iodopropane

C₃H₂F₅ICAS 354-69-8259.95 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₂F₅I
Molar mass: 259.95 g/mol
Exact mass: 259.9121 Da
Density: 2.038 g/mL (at 25 °C)
Boiling point: 70.5 °C
logP: 2.62Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

354-69-8

SMILES

FC(F)(F)C(F)(F)CI

InChIKey

HENALDZJQYAUBN-UHFFFAOYSA-N

InChI

InChI=1S/C3H2F5I/c4-2(5,1-9)3(6,7)8/h1H2

Weigh it out

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

Names and synonyms

3 names

Propane, 1,1,1,2,2-pentafluoro-3-iodo-
NSC 141151
1-Iodo-2,2,3,3,3-pentafluoropropane

Work with 1,1,1,2,2-Pentafluoro-3-iodopropane

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-Heptafluoro-4-iodobutane374-98-165 % similar 1,1,1,2,2-Pentafluoro-4-iodobutane40723-80-652 % similar 2,2,3,3,3-Pentafluoropropylamine422-03-743 % similar 2,2,3,3,3-Pentafluoropropanol422-05-943 % similar 1,1,1-Trifluoro-2-iodoethane353-83-342 % similar 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane2043-55-238 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane2043-53-037 % similar 1-Iodo-1H,1H,2H,2H-perfluorododecane2043-54-137 % similar

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

Elsewhere

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