chempirical

Hexafluoroacetylacetone

C5H2F6O2CAS 1522-22-1208.06 g/mol

Open in Covalent MOL file
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Alkyl halideKetone

Properties

Molecular formula
C5H2F6O2
Molar mass
208.06 g/mol
Exact mass
207.9959 Da
Boiling point
70 °C
logP
1.64Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
1522-22-1
SMILES
O=C(CC(=O)C(F)(F)F)C(F)(F)F
InChIKey
QAMFBRUWYYMMGJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1H2

Weigh it out

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

Names and synonyms

8 names
  • 1,1,1,5,5,5-Hexafluoropenta-2,4-dione
  • Hexafluoroacetylacetonate
  • 2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-
  • 1,1,1,5,5,5-Hexafluoro-2,4-pentanedione
  • 1,1,1,5,5,5-Hexafluoroacetylacetone
  • 1,3-Bis(trifluoromethyl)propane-1,3-dione
  • Hexafluoro-2,4-pentanedione
  • 1,1,1,5,5,5-Hexafluoro-2,4-pentandione

Work with Hexafluoroacetylacetone

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-5,5-dimethyl-2,4-hexanedione22767-90-475 % similar 1,1,1-Trifluoroacetylacetone367-57-764 % similar 3-Bromo-1,1,1-trifluoro-2-propanone431-35-657 % similar Ethyl 4,4,4-trifluoroacetoacetate372-31-652 % similar 1,1,1-Trifluoro-6-methyl-2,4-heptanedione461-92-752 % similar 4,4,4-Trifluoro-1-phenyl-1,3-butanedione326-06-750 % similar 1,1,1-Trifluoro-3-phenyl-2-propanone350-92-550 % similar 1-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione720-94-545 % similar

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

Elsewhere

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