chempirical

Trifluoroacetone

C3H3F3OCAS 421-50-1112.05 g/mol

Open in Covalent MOL file
OFFF
Alkyl halideKetone

Properties

Molecular formula
C3H3F3O
Molar mass
112.05 g/mol
Exact mass
112.0136 Da
Density
1.28 g/mL
Boiling point
22 °C
logP
1.14Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
421-50-1
SMILES
CC(=O)C(F)(F)F
InChIKey
FHUDAMLDXFJHJE-UHFFFAOYSA-N
InChI
InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3

Weigh it out

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

Names and synonyms

8 names
  • 2-Propanone, 1,1,1-trifluoro-
  • 1,1,1-Trifluoro-2-propanone
  • 1,1,1-Trifluoroacetone
  • Trifluoromethyl methyl ketone
  • Methyl trifluoromethyl ketone
  • 3,3,3-Trifluoroacetone
  • α,α,α-Trifluoroacetone
  • NSC 66412

Work with Trifluoroacetone

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

3,3,4,4,5,5,5-Heptafluoro-2-pentanone355-17-944 % similar Hexafluoroacetone trihydrate34202-69-243 % similar 1,1,1-Trichloroacetone918-00-343 % similar 3-Hydroxy-3-methyl-2-butanone115-22-039 % similar 1-(1-Methylcyclopropyl)ethanone1567-75-539 % similar 1,1,1-Trichloro-3,3,3-trifluoro-2-propanone758-42-939 % similar 1,1,1-Trifluoroacetylacetone367-57-738 % similar Trifluoroacetic acid-D599-00-838 % similar

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

Same formula

2-(Trifluoromethyl)oxirane359-41-1 3,3,3-Trifluoropropanal460-40-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia