chempirical

Methyl perfluorobutyl ketone

C6H3F9OCAS 678-18-2262.07 g/mol

Open in Covalent MOL file
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Alkyl halideKetone

Properties

Molecular formula
C6H3F9O
Molar mass
262.07 g/mol
Exact mass
262.0040 Da
logP
3.04Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
678-18-2
SMILES
CC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChIKey
LPPFRPMJUNOKRS-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F9O/c1-2(16)3(7,8)4(9,10)5(11,12)6(13,14)15/h1H3

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Names and synonyms

1 names
  • 1H,1H,1H-Nonafluoro-2-hexanone

Work with Methyl perfluorobutyl ketone

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

3,3,4,4,5,5,5-Heptafluoro-2-pentanone355-17-987 % similar Perfluoropentanoic acid2706-90-352 % similar Methyl perfluoroheptanoate14312-89-150 % similar Perfluorooctadecanoic acid16517-11-650 % similar Methyl perfluorohexadecanoate165457-57-850 % similar Methyl perfluorotetradecanoate203302-99-250 % similar Perfluorohexanoic acid307-24-450 % similar Perfluorododecanoic acid307-55-150 % similar

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

Elsewhere

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