2,2-Difluoro-1,3-benzodioxole
Properties
- Molecular formula
- C7H4F2O2
- Molar mass
- 158.10 g/mol
- Exact mass
- 158.0179 Da
- Density
- 1.3079 g/mL (at 20 °C)
- Boiling point
- 129–130 °C
- logP
- 2.01Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Identifiers
CAS number
1583-59-1SMILES
FC1(F)Oc2ccccc2O1InChIKey
DGCOGZQDAXUUBY-UHFFFAOYSA-NInChI
InChI=1S/C7H4F2O2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- 1,3-Benzodioxole, 2,2-difluoro-
- Benzene, 1,2-[(difluoromethylene)dioxy]-
- 2,2-Difluorobenzodioxole
- 2,2-Difluorobenzo[d][1,3]dioxole
Work with 2,2-Difluoro-1,3-benzodioxole
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
4-Bromo-2,2-difluoro-1,3-benzodioxole144584-66-756 % similar
2,2,5-Trifluoro-1,3-benzodioxole656-43-954 % similar
4-Amino-2,2-difluoro-1,3-benzodioxole106876-54-454 % similar
2,2-Difluoro-1,3-benzodioxole-5-acetonitrile68119-31-352 % similar
2,2-Difluoro-1,3-benzodioxole-4-carboxaldehyde119895-68-048 % similar
(R)-1-(2,2-Difluoro-benzo[1,3]dioxol-4-yl)-ethylamine1213203-92-944 % similar
2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid126120-85-244 % similar
1,1′-[(4S)-2,2,2′,2′-Tetrafluoro[4,4′-bi-1,3-benzodioxole]-5,5′-diyl]bis[1,1-diphenylphosphine]503538-70-344 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds