chempirical

1,1,3-Trichlorotrifluoroacetone

C3Cl3F3OCAS 79-52-7215.38 g/mol

Open in Covalent MOL file
OFFClFClCl
Alkyl halideKetone

Properties

Molecular formula
C3Cl3F3O
Molar mass
215.38 g/mol
Exact mass
213.8967 Da
Boiling point
84.2 °C
logP
2.49Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
79-52-7
SMILES
O=C(C(F)(F)Cl)C(F)(Cl)Cl
InChIKey
QCVAFEQJWDOJLG-UHFFFAOYSA-N
InChI
InChI=1S/C3Cl3F3O/c4-2(5,7)1(10)3(6,8)9

Weigh it out

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

Names and synonyms

7 names
  • 2-Propanone, 1,1,3-trichloro-1,3,3-trifluoro-
  • 1,1,3-Trichloro-1,3,3-trifluoro-2-propanone
  • 1,1,3-Trifluoro-1,3,3-trichloroacetone
  • 1,3,3-Trichloro-1,1,3-trifluoroacetone
  • 1,1,3-Trichloro-1,3,3-trifluoroacetone
  • 1,1,3-Trichlorotrifluoropropan-2-one
  • NSC 73469

Work with 1,1,3-Trichlorotrifluoroacetone

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

1,3-Dichlorotetrafluoroacetone127-21-970 % similar 1,1,3,3-Tetrachloro-1,3-difluoro-2-propanone79-51-670 % similar 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone79-53-861 % similar 2-Chloro-2,2-difluoroacetyl chloride354-24-546 % similar Chlorodifluoroacetic anhydride2834-23-342 % similar Chlorodifluoroacetic acid76-04-042 % similar Methyl 2-chloro-2,2-difluoroacetate1514-87-038 % similar Sodium chlorodifluoroacetate1895-39-238 % similar

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

Same formula

1,1,1-Trichloro-3,3,3-trifluoro-2-propanone758-42-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook