1,1-Difluoro-2-propanone
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 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor40% of notifiers
- H226 Flammable liquid and vapor40% of notifiers
- H315 Causes skin irritation60% of notifiers
- H319 Causes serious eye irritation60% of notifiers
- H335 May cause respiratory irritation60% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
431-05-0SMILES
CC(=O)C(F)FInChIKey
XHILZHAQBOLGFD-UHFFFAOYSA-NInChI
InChI=1S/C3H4F2O/c1-2(6)3(4)5/h3H,1H3Weigh 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
Methyl isopropyl ketone563-80-445 % similar
3-Methyl-2,4-pentanedione815-57-645 % similar
3-Chloro-2,4-pentanedione1694-29-743 % similar
1,1-Dichloroacetone513-88-243 % similar
Cyclopropyl methyl ketone765-43-543 % similar
3-Ethylpentane-2,4-dione1540-34-739 % similar
3-Mercapto-2-butanone40789-98-839 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.