chempirical

1-Chloro-1,1,3,3,3-pentafluoro-2-propanone

C3ClF5OCAS 79-53-8182.47 g/mol

Open in Covalent MOL file
OFFFFFCl
Alkyl halideKetone

Properties

Molecular formula
C3ClF5O
Molar mass
182.47 g/mol
Exact mass
181.9558 Da
Melting point
−133 °C
Boiling point
8 °C
logP
1.95Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
79-53-8
SMILES
O=C(C(F)(F)F)C(F)(F)Cl
InChIKey
OJUUDWYPNQALHZ-UHFFFAOYSA-N
InChI
InChI=1S/C3ClF5O/c4-2(5,6)1(10)3(7,8)9

Weigh it out

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

Names and synonyms

6 names
  • 2-Propanone, 1-chloro-1,1,3,3,3-pentafluoro-
  • Chloropentafluoro-2-propanone
  • Chloropentafluoroacetone
  • 1,1,1,3,3-Pentafluoro-3-chloroacetone
  • Pentafluorochloroacetone
  • α-Chloroperfluoroacetone

Work with 1-Chloro-1,1,3,3,3-pentafluoro-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

1,3-Dichlorotetrafluoroacetone127-21-974 % similar 1,1,3-Trichlorotrifluoroacetone79-52-761 % similar 1,1,1-Trichloro-3,3,3-trifluoro-2-propanone758-42-959 % similar Hexafluoroacetone684-16-258 % similar Hexafluoroacetone trihydrate34202-69-250 % similar 2-Chloro-2,2-difluoroacetyl chloride354-24-548 % similar Chlorodifluoroacetic anhydride2834-23-344 % similar Chlorodifluoroacetic acid76-04-044 % similar

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

Elsewhere

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