chempirical

1,3-Dichlorotetrafluoroacetone

C3Cl2F4OCAS 127-21-9198.93 g/mol

Open in Covalent MOL file
OFFClFFCl
Alkyl halideKetone

Properties

Molecular formula
C3Cl2F4O
Molar mass
198.93 g/mol
Exact mass
197.9262 Da
Boiling point
44 °C
logP
2.22Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
127-21-9
SMILES
O=C(C(F)(F)Cl)C(F)(F)Cl
InChIKey
QRKKTXWUDLJYCV-UHFFFAOYSA-N
InChI
InChI=1S/C3Cl2F4O/c4-2(6,7)1(10)3(5,8)9

Weigh it out

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

Names and synonyms

10 names
  • 2-Propanone, 1,3-dichloro-1,1,3,3-tetrafluoro-
  • 1,3-Dichloro-1,1,3,3-tetrafluoro-2-propanone
  • DCTFA
  • Sym-Dichlorotetrafluoroacetone
  • Stauffer N 3412
  • 1,1,3,3-Tetrafluoro-1,3-dichloroacetone
  • 1,3-Dichloro-1,1,3,3-tetrafluoroacetone
  • Bis(chlorodifluoromethyl) ketone
  • 1,3-Dichlorotetrafluoropropan-2-one
  • NSC 62662

Work with 1,3-Dichlorotetrafluoroacetone

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-Chloro-1,1,3,3,3-pentafluoro-2-propanone79-53-874 % similar 1,1,3-Trichlorotrifluoroacetone79-52-770 % similar 2-Chloro-2,2-difluoroacetyl chloride354-24-555 % similar Chlorodifluoroacetic anhydride2834-23-350 % similar Chlorodifluoroacetic acid76-04-050 % similar 1,1,3,3-Tetrachloro-1,3-difluoro-2-propanone79-51-650 % similar 1,1,1-Trichloro-3,3,3-trifluoro-2-propanone758-42-945 % similar Methyl 2-chloro-2,2-difluoroacetate1514-87-044 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook