chempirical

1,1,1-Trifluoro-4-iodobutane

C4H6F3ICAS 461-17-6237.99 g/mol

Open in Covalent MOL file
FFFI
Alkyl halide

Properties

Molecular formula
C4H6F3I
Molar mass
237.99 g/mol
Exact mass
237.9466 Da
Density
1.851 g/mL (at 20 °C)
Boiling point
126–127 °C
logP
2.76Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
461-17-6
SMILES
FC(F)(F)CCCI
InChIKey
LNDGACQEAYKNOI-UHFFFAOYSA-N
InChI
InChI=1S/C4H6F3I/c5-4(6,7)2-1-3-8/h1-3H2

Weigh it out

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

Names and synonyms

5 names
  • Butane, 1,1,1-trifluoro-4-iodo-
  • 4,4,4-Trifluorobutyl iodide
  • 1-Iodo-4,4,4-trifluorobutane
  • 4,4,4-Trifluoro-1-iodobutane
  • 4-Iodo-1,1,1-trifluorobutane

Work with 1,1,1-Trifluoro-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-Trifluoro-3-iodopropane460-37-767 % similar 4,4,4-Trifluoro-1-butanol461-18-745 % similar 1,3-Diiodopropane627-31-641 % similar 1,1,1-Trifluoro-2-iodoethane353-83-340 % similar 1,10-Diiododecane16355-92-339 % similar 1,8-Diiodooctane24772-63-239 % similar 1,5-Diiodopentane628-77-339 % similar 1,1,1,2,2-Pentafluoro-4-iodobutane40723-80-638 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook