1,1-Difluoro-2-propanone

C₃H₄F₂OCAS 431-05-094.06 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₃H₄F₂O
Molar mass: 94.06 g/mol
Exact mass: 94.0230 Da
Density: 1.16 g/mL
Boiling point: 46 °C
logP: 0.84Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

431-05-0

SMILES

CC(=O)C(F)F

InChIKey

XHILZHAQBOLGFD-UHFFFAOYSA-N

InChI

InChI=1S/C3H4F2O/c1-2(6)3(4)5/h3H,1H3

Weigh it out

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

Names and synonyms

3 names

2-Propanone, 1,1-difluoro-
1,1-Difluoroacetone
1,1-Difluoropropan-2-one

Work with 1,1-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

3-Chloro-2-butanone4091-39-845 % similar 3-Methyl-2,4-pentanedione815-57-645 % similar 3-Chloro-2,4-pentanedione1694-29-743 % similar 1,1-Dichloroacetone513-88-243 % similar 3-Ethyl-2,4-pentanedione1540-34-739 % similar 3-Mercapto-2-butanone40789-98-839 % similar Acetoin513-86-039 % similar Pyruvic aldehyde dimethyl acetal6342-56-939 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook