2,2,2-Trifluoroethan-1,1-D2-ol-D

C₂D₃F₃OCAS 77253-67-9103.06 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₂D₃F₃O
Molar mass: 103.06 g/mol
Exact mass: 103.0324 Da
logP: 0.54Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

77253-67-9

SMILES

[2H]OC([2H])([2H])C(F)(F)F

InChIKey

RHQDFWAXVIIEBN-IDPMSXFZSA-N

InChI

InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2/i1D2,6D

Weigh it out

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

Names and synonyms

3 names

Ethan-1,1-d2-ol-d, 2,2,2-trifluoro-
2,2,2-Trifluoroethanol-d3
1,1-Dideuterio-1-deuteriooxy-2,2,2-trifluoroethane

Work with 2,2,2-Trifluoroethan-1,1-D2-ol-D

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

Hexafluoro-2-butyne692-50-240 % similar Trifluoroacetonitrile353-85-533 % similar 3,3,3-Trifluoropropyne661-54-133 % similar

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

Same formula

2,2,2-Trifluoroethanol75-89-8

Elsewhere

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