chempirical

2,2,2-Trifluoroethanol

C2H3F3OCAS 75-89-8100.04 g/mol

Open in Covalent MOL file
HOFFF
AlcoholAlkyl halide

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

Identifiers

CAS number
75-89-8
SMILES
OCC(F)(F)F
InChIKey
RHQDFWAXVIIEBN-UHFFFAOYSA-N
InChI
InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2

Weigh 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

Similar compounds

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 2,2,3,3,4,4,5,5,6,6,7,7,8,8-Tetradecafluoro-1,9-nonanediol203303-01-940 % similar 4,4,4-Trifluoro-1-butanol461-18-740 % similar 1,1,1,3,3,3-Hexafluoropropane690-39-140 % similar

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

Same formula

2,2,2-Trifluoroethan-1,1-D2-ol-D77253-67-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia