chempirical

6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedione

C10H11F7O2CAS 17587-22-3296.18 g/mol

Open in Covalent MOL file
OOFFFFFFF
Alkyl halideKetone

Properties

Molecular formula
C10H11F7O2
Molar mass
296.18 g/mol
Exact mass
296.0647 Da
Melting point
38 °C
Boiling point
46–47 °C
logP
3.39Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
17587-22-3
SMILES
CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
SQNZLBOJCWQLGQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H11F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h4H2,1-3H3

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

Names and synonyms

6 names
  • 3,5-Octanedione, 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-
  • 1,1,1,2,2,3,3-Heptafluoro-7,7-dimethyl-4,6-octanedione
  • Fod
  • 2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione
  • (Heptafluorobutanoyl)pivaloylmethane
  • 2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-heptanedione

Work with 6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedione

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

2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-454 % similar 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione22767-90-453 % similar 3,3,4,4,5,5,5-Heptafluoro-2-pentanone355-17-947 % similar 4,4,5,5,6,6,6-Heptafluoro-1-(2-thienyl)-1,3-hexanedione559-94-447 % similar Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-443 % similar Methyl 2,2,3,3,4,4,4-heptafluorobutanoate356-24-143 % similar Heptafluorobutyric anhydride336-59-442 % similar Heptafluorobutyryl chloride375-16-642 % similar

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

Elsewhere

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