chempirical

1,1,3,3-Tetrachloro-1,3-difluoro-2-propanone

C3Cl4F2OCAS 79-51-6231.83 g/mol

Open in Covalent MOL file
OFClClFClCl
Alkyl halideKetone

Properties

Molecular formula
C3Cl4F2O
Molar mass
231.83 g/mol
Exact mass
229.8671 Da
Boiling point
118–122 °C
logP
2.76Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
79-51-6
SMILES
O=C(C(F)(Cl)Cl)C(F)(Cl)Cl
InChIKey
MXYOKVCIXGJEFW-UHFFFAOYSA-N
InChI
InChI=1S/C3Cl4F2O/c4-2(5,8)1(10)3(6,7)9

Weigh it out

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

Names and synonyms

5 names
  • 2-Propanone, 1,1,3,3-tetrachloro-1,3-difluoro-
  • Difluorotetrachloroacetone
  • Tetrachlorodifluoroacetone
  • NSC 42760
  • 1,3-Difluorotetrachloroacetone

Work with 1,1,3,3-Tetrachloro-1,3-difluoro-2-propanone

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

1,1,3-Trichlorotrifluoroacetone79-52-770 % similar 1,3-Dichlorotetrafluoroacetone127-21-950 % similar 1,1,1-Trichloro-3,3,3-trifluoro-2-propanone758-42-945 % similar 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone79-53-843 % similar Hexachloroacetone116-16-542 % similar Hexafluoroacetone trihydrate34202-69-236 % similar 1,1,1,2,4,5,5,5-Octafluoro-2,4-bis(trifluoromethyl)-3-pentanone813-44-536 % similar 2-Chloro-2,2-difluoroacetyl chloride354-24-535 % similar

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

Elsewhere

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