2,2-Difluoro-1-propanol
Properties
- Molecular formula
- C3H6F2O
- Molar mass
- 96.08 g/mol
- Exact mass
- 96.0387 Da
- Density
- 1.1855 g/mL (at 20 °C)
- Boiling point
- 101–102 °C
- logP
- 0.63Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor95.3% of notifiers
- H302 Harmful if swallowed90.7% of notifiers
- H315 Causes skin irritation95.3% of notifiers
- H319 Causes serious eye irritation95.3% of notifiers
- H335 May cause respiratory irritation95.3% of notifiers
Aggregated from 43 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, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
33420-52-9SMILES
CC(F)(F)COInChIKey
CKLONJANQGBREW-UHFFFAOYSA-NInChI
InChI=1S/C3H6F2O/c1-3(4,5)2-6/h6H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- 1-Propanol, 2,2-difluoro-
- 2,2-Difluoropropanol
Work with 2,2-Difluoro-1-propanol
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
2-Fluoro-2-methylpropan-1-ol3109-99-750 % similar
3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propan-1-ol2927-17-545 % similar
Trimethylolethane77-85-044 % similar
1,1,1,3,3-Pentafluorobutane406-58-643 % similar
Neopentyl glycol126-30-742 % similar
2,2,3,3-Tetrafluoro-1,4-butanediol425-61-642 % similar
2,2-Difluoropropane-1,3-diol428-63-742 % similar
Neopentyl alcohol75-84-342 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.