chempirical

Perfluoro(2-methyl-3-pentanone)

C6F12OCAS 756-13-8316.05 g/mol

Open in Covalent MOL file
OFFFFFFFFFFFF
Alkyl halideKetone

Properties

Molecular formula
C6F12O
Molar mass
316.05 g/mol
Exact mass
315.9758 Da
Boiling point
48–49 °C
logP
3.59Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
756-13-8
SMILES
O=C(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIKey
RMLFHPWPTXWZNJ-UHFFFAOYSA-N
InChI
InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18

Weigh it out

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

Names and synonyms

11 names
  • 3-Pentanone, 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)-
  • 1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone
  • Perfluoro-2-methyl-3-pentanone
  • Perfluoro(ethyl isopropyl ketone)
  • Heptafluoroisopropyl pentafluoroethyl ketone
  • Perfluoro-(4-methylpentan-3-one)
  • L 18543
  • Novec 1230
  • Dodecafluoro-2-methylpentan-3-one
  • Novec 649
  • Khaldon PFK 49

Work with Perfluoro(2-methyl-3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1,1,2,4,5,5,5-Octafluoro-2,4-bis(trifluoromethyl)-3-pentanone813-44-570 % similar Pentafluoropropionic anhydride356-42-342 % similar Perfluoropropionic acid422-64-042 % similar Methyl 2,2,3,3,3-pentafluoropropanoate378-75-638 % similar Sodium pentafluoropropionate378-77-838 % similar Methyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate680-05-738 % similar Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-334 % similar Heptafluorobutyric anhydride336-59-433 % similar

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

Elsewhere

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