2,2,2-Trifluoroethanol
Properties
- Molecular formula
- C2H3F3O
- Molar mass
- 100.04 g/mol
- Exact mass
- 100.0136 Da
- Density
- 1.4106 g/mL (at 0 °C)
- Melting point
- −43.5 °C
- Boiling point
- 74 °C
- logP
- 0.54Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor99.4% of notifiers
- H301+H331 Toxic if swallowed or if inhaled14.2% of notifiers
- H301 Toxic if swallowed91.1% of notifiers
- H312 Harmful in contact with skin59.2% of notifiers
- H315 Causes skin irritation55.6% of notifiers
- H318 Causes serious eye damage91.7% of notifiers
- H331 Toxic if inhaled51.5% of notifiers
- H332 Harmful if inhaled39.6% of notifiers
- H335 May cause respiratory irritation29% of notifiers
- H360 May damage fertility or the unborn child20.1% of notifiers
- H360F May damage fertility17.8% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure62.7% of notifiers
Aggregated from 169 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
75-89-8SMILES
OCC(F)(F)FInChIKey
RHQDFWAXVIIEBN-UHFFFAOYSA-NInChI
InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Ethanol, 2,2,2-trifluoro-
- β,β,β-Trifluoroethyl alcohol
- 2,2,2-Trifluoroethyl alcohol
- TFE
- NSC 451
- 2,2,2-Trifluoroethan-1-ol
Work with 2,2,2-Trifluoroethanol
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2,2,3,3-Tetrafluoro-1,4-butanediol425-61-650 % similar
2,2-Difluoropropane-1,3-diol428-63-750 % similar
3,3,3-Trifluoro-1-propanol2240-88-244 % similar
Poly(difluoromethylene), α-fluoro-ω-(2-hydroxyethyl)-65530-60-144 % 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
Tanimoto similarity of circular fingerprints over the whole catalogue.