chempirical

Trifluoroacetaldehyde methyl hemiacetal

C3H5F3O2CAS 431-46-9130.07 g/mol

Open in Covalent MOL file
OOHFFF
AlcoholAlkyl halideEther

Properties

Molecular formula
C3H5F3O2
Molar mass
130.07 g/mol
Exact mass
130.0242 Da
Boiling point
96–96.5 °C (at 729 Torr)
logP
0.51Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
431-46-9
SMILES
COC(O)C(F)(F)F
InChIKey
GWTBCUWZAVMAQV-UHFFFAOYSA-N
InChI
InChI=1S/C3H5F3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Ethanol, 2,2,2-trifluoro-1-methoxy-
  • 2,2,2-Trifluoro-1-methoxyethanol
  • Fluoral methyl hemiacetal
  • 1-Methoxy-2,2,2-trifluoroethanol
  • 2,2,2-Trifluoro-1-methoxyethan-1-ol

Work with Trifluoroacetaldehyde methyl 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

Isoflurothyl13171-18-150 % similar Trifluoroacetaldehyde ethyl hemiacetal433-27-250 % similar 1,1,1-Trifluoro-2-propanol374-01-639 % similar 2,2,2-Trifluoro-1,1-ethanediol421-53-436 % similar Hexafluoro-2-propanol920-66-136 % similar Pinitol10284-63-632 % similar Sequoyitol523-92-232 % similar Quebrachitol642-38-632 % similar

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

Elsewhere

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