chempirical

2,2-Difluoropropane-1,3-diol

C3H6F2O2CAS 428-63-7112.08 g/mol

Open in Covalent MOL file
OHFFHO
AlcoholAlkyl halide

Properties

Molecular formula
C3H6F2O2
Molar mass
112.08 g/mol
Exact mass
112.0336 Da
logP
-0.39Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
428-63-7
SMILES
C(C(CO)(F)F)O
InChIKey
AMCKYDINHDOOCB-UHFFFAOYSA-N
InChI
InChI=1S/C3H6F2O2/c4-3(5,1-6)2-7/h6-7H,1-2H2

Weigh it out

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Work with 2,2-Difluoropropane-1,3-diol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2,3,3-Tetrafluoro-1,4-butanediol425-61-650 % similar 2,2,2-Trifluoroethanol75-89-850 % similar 2-Fluoro-2-methylpropan-1-ol3109-99-742 % similar 2,2-Difluoro-1-propanol33420-52-942 % similar 2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol355-74-842 % similar 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol376-90-942 % similar 2,2,3,3,3-Pentafluoropropanol422-05-942 % similar Pentaerythritol115-77-540 % similar

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

Elsewhere

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