2,2-Difluoropropane-1,3-diol

C₃H₆F₂O₂CAS 428-63-7112.08 g/mol

Open in Covalent MOL file

Alcohol Alkyl 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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

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-Octafluorohexane-1,6-diol355-74-842 % 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

PubChem CAS Common Chemistry NIST WebBook