chempirical

1,1,1-Trifluoro-3-iodopropane

C3H4F3ICAS 460-37-7223.96 g/mol

Open in Covalent MOL file
FFFI
Alkyl halide

Properties

Molecular formula
C3H4F3I
Molar mass
223.96 g/mol
Exact mass
223.9310 Da
Boiling point
90 °C
logP
2.37Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
460-37-7
SMILES
FC(F)(F)CCI
InChIKey
ULIYQAUQKZDZOX-UHFFFAOYSA-N
InChI
InChI=1S/C3H4F3I/c4-3(5,6)1-2-7/h1-2H2

Weigh it out

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

Names and synonyms

6 names
  • Propane, 1,1,1-trifluoro-3-iodo-
  • 3,3,3-Trifluoropropyl iodide
  • 1-Iodo-3,3,3-trifluoropropane
  • 3,3,3-Trifluoro-1-iodopropane
  • 3-Iodo-1,1,1-trifluoropropane
  • 1H,1H,2H,2H-Trifluoro-1-iodopropane

Work with 1,1,1-Trifluoro-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-Trifluoro-4-iodobutane461-17-667 % similar 1,1,1,2,2-Pentafluoro-4-iodobutane40723-80-648 % similar 1,1,1-Trifluoro-2-iodoethane353-83-344 % similar 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane2043-55-240 % similar Chlorotrifluoropropane460-35-540 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane2043-53-038 % similar 1-Iodo-1H,1H,2H,2H-perfluorododecane2043-54-138 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane2043-57-438 % similar

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

Elsewhere

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