2,2,2-Trifluoro-1,1-ethanediol
Properties
- Molecular formula
- C2H3F3O2
- Molar mass
- 116.04 g/mol
- Exact mass
- 116.0085 Da
- Density
- 1.49 g/mL
- Melting point
- 68–70 °C
- Boiling point
- 105–106 °C
- logP
- -0.14Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor86.7% of notifiers
- H302 Harmful if swallowed95.6% of notifiers
- H315 Causes skin irritation97.8% of notifiers
- H319 Causes serious eye irritation88.9% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 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
421-53-4SMILES
OC(O)C(F)(F)FInChIKey
VGJWVEYTYIBXIA-UHFFFAOYSA-NInChI
InChI=1S/C2H3F3O2/c3-2(4,5)1(6)7/h1,6-7HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- 1,1-Ethanediol, 2,2,2-trifluoro-
- Acetaldehyde, trifluoro-, hydrate
- Fluoral hydrate
- Trifluoroacetaldehyde hydrate
- 2,2,2-Trifluoroacetaldehyde hydrate
- Trifluoroethanal hydrate
- NSC 146025
Work with 2,2,2-Trifluoro-1,1-ethanediol
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
1,1,1,3,3,3-Hexafluoro-2-propanol29463-77-250 % similar
Hexafluoro-2-propanol920-66-150 % similar
(2S)-1,1,1-Trifluoropropan-2-ol3539-97-744 % similar
1,1,1-Trifluoro-2-propanol374-01-644 % similar
2-Chloro-2,2-difluoro-1,1-ethanediol63034-47-942 % similar
4-(Trifluoromethyl)cyclohexan-1-ol30129-18-136 % similar
3-Amino-1,1,1-trifluoropropan-2-ol431-38-936 % similar
Trifluoroacetaldehyde methyl hemiacetal431-46-936 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.