3,3,4,4,5,5,5-Heptafluoro-2-pentanone

C₅H₃F₇OCAS 355-17-9212.07 g/mol

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Alkyl halide Ketone

Properties

Molecular formula: C₅H₃F₇O
Molar mass: 212.07 g/mol
Exact mass: 212.0072 Da
Density: 1.424 g/mL (at 20 °C)
Boiling point: 63.5 °C (at 740 Torr)
logP: 2.41Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

355-17-9

SMILES

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

InChIKey

XJYXROGTQYHLTH-UHFFFAOYSA-N

InChI

InChI=1S/C5H3F7O/c1-2(13)3(6,7)4(8,9)5(10,11)12/h1H3

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Names and synonyms

4 names

2-Pentanone, 3,3,4,4,5,5,5-heptafluoro-
Heptafluoropropyl methyl ketone
HFK 447mcc
3,3,4,4,5,5,5-Heptafluoropentan-2-one

Work with 3,3,4,4,5,5,5-Heptafluoro-2-pentanone

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

Heptafluorobutyric anhydride336-59-450 % similar Methyl 2,2,3,3,4,4,4-heptafluorobutanoate356-24-150 % similar Heptafluorobutyryl chloride375-16-650 % similar Perfluorobutanoic acid375-22-450 % similar 6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedione17587-22-347 % similar Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-445 % similar Sodium heptafluorobutyrate2218-54-445 % similar Silver heptafluorobutyrate3794-64-745 % similar

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

Elsewhere

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