chempirical

Trifluoroacetaldehyde ethyl hemiacetal

C4H7F3O2CAS 433-27-2144.09 g/mol

Open in Covalent MOL file
OOHFFF
AlcoholAlkyl halideEther

Properties

Molecular formula
C4H7F3O2
Molar mass
144.09 g/mol
Exact mass
144.0398 Da
Density
1.241 g/mL (at 20 °C)
Boiling point
104–105 °C (at 746 Torr)
logP
0.90Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
433-27-2
SMILES
CCOC(O)C(F)(F)F
InChIKey
KLXJPQNHFFMLIG-UHFFFAOYSA-N
InChI
InChI=1S/C4H7F3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names
  • Ethanol, 1-ethoxy-2,2,2-trifluoro-
  • 1-Ethoxy-2,2,2-trifluoroethanol
  • Fluoral ethyl hemiacetal
  • NSC 65431
  • 1-Ethoxy-2,2,2-trifluoroethan-1-ol

Work with Trifluoroacetaldehyde ethyl hemiacetal

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trifluoroacetaldehyde methyl hemiacetal431-46-950 % similar 1-Ethoxy-2,2-difluoroethanol148992-43-241 % similar Ethyl 4,4,4-trifluoro-3-hydroxybutanoate372-30-539 % similar 2,2-Diethoxyethanol621-63-636 % similar 1,1-Diethoxyethane105-57-735 % similar 1,1,3,3-Tetraethoxypropane122-31-635 % similar 1,1,1-Trifluoro-2-propanol374-01-635 % similar 2-(Trifluoromethyl)oxirane359-41-133 % similar

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

Elsewhere

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