chempirical

1,1,1,5,5,6,6,7,7,7-Decafluoro-2,4-heptanedione

C7H2F10O2CAS 20583-66-8308.08 g/mol

Open in Covalent MOL file
OFFFFFFFOFFF
Alkyl halideKetone

Properties

Molecular formula
C7H2F10O2
Molar mass
308.08 g/mol
Exact mass
307.9895 Da
logP
2.91Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
20583-66-8
SMILES
C(C(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C(F)(F)F
InChIKey
SUORUQZBFOQDGX-UHFFFAOYSA-N
InChI
InChI=1S/C7H2F10O2/c8-4(9,6(13,14)7(15,16)17)2(18)1-3(19)5(10,11)12/h1H2

Weigh it out

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

Work with 1,1,1,5,5,6,6,7,7,7-Decafluoro-2,4-heptanedione

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedione17587-22-370 % similar 5,5,6,6,7,7,7-Heptafluoroheptane-2,4-dione356-30-963 % similar Hexafluoroacetylacetone1522-22-160 % similar Ethyl heptafluorobutyrylacetate336-62-954 % similar 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione22767-90-450 % similar 4,4,5,5,6,6,6-Heptafluoro-1-(2-thienyl)-1,3-hexanedione559-94-448 % similar Heptafluorobutyric anhydride336-59-444 % similar 3,3,4,4,5,5,5-Heptafluoro-2-pentanone355-17-944 % similar

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

Elsewhere

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