5,5,6,6,7,7,7-Heptafluoroheptane-2,4-dione

C₇H₅F₇O₂CAS 356-30-9254.10 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₇H₅F₇O₂
Molar mass: 254.10 g/mol
Exact mass: 254.0178 Da
logP: 2.37Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

356-30-9

SMILES

CC(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F

InChIKey

QHBCZMRCKGKVSR-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F7O2/c1-3(15)2-4(16)5(8,9)6(10,11)7(12,13)14/h2H2,1H3

Weigh it out

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

Work with 5,5,6,6,7,7,7-Heptafluoroheptane-2,4-dione

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-octanedione17587-22-366 % similar 1,1,1,5,5,6,6,7,7,7-Decafluoro-2,4-heptanedione20583-66-863 % similar Ethyl heptafluorobutyrylacetate336-62-955 % similar 1,1,1-Trifluoroacetylacetone367-57-755 % similar 1-Chloro-1,1-difluoro-2,4-pentanedione2375-76-050 % similar 3,3,4,4,5,5,5-Heptafluoro-2-pentanone355-17-950 % similar 4,4,5,5,6,6,6-Heptafluoro-1-(2-thienyl)-1,3-hexanedione559-94-445 % similar Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-442 % similar

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

Same formula

2,2,3,3,4,4,4-Heptafluorobutyl 2-propenoate424-64-6

Elsewhere

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