chempirical

2,2,2-Trifluoro-1,1-ethanediol

C2H3F3O2CAS 421-53-4116.04 g/mol

Open in Covalent MOL file
OHHOFFF
AlcoholAlkyl halide

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

Identifiers

CAS number
421-53-4
SMILES
OC(O)C(F)(F)F
InChIKey
VGJWVEYTYIBXIA-UHFFFAOYSA-N
InChI
InChI=1S/C2H3F3O2/c3-2(4,5)1(6)7/h1,6-7H

Weigh 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

Hexafluoro-2-propanol920-66-150 % similar 1,1,1-Trifluoro-2-propanol374-01-644 % similar 2-Chloro-2,2-difluoro-1,1-ethanediol63034-47-942 % similar Trifluoroacetaldehyde methyl hemiacetal431-46-936 % similar Pentafluoroethane354-33-635 % similar 1,1,1,2,3,3,3-Heptafluoropropane431-89-035 % similar Chloral hydrate302-17-033 % similar 2,2-Dichloro-1,1,1-trifluoroethane306-83-233 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook