2-Propan-2-D-ol-D, 1,1,1,3,3,3-hexafluoro-

C₃D₂F₆OCAS 38701-74-5170.05 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₃D₂F₆O
Molar mass: 170.05 g/mol
Exact mass: 170.0135 Da
logP: 1.47Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

38701-74-5

SMILES

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

InChIKey

BYEAHWXPCBROCE-AWPANEGFSA-N

InChI

InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H/i1D,10D

Weigh it out

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

Names and synonyms

1 names

HFIP-d2

Work with 2-Propan-2-D-ol-D, 1,1,1,3,3,3-hexafluoro-

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

Trifluoroacetic acid-D599-00-844 % similar Perfluoro-2-butene360-89-435 % similar Hexafluoroacetylacetone1522-22-135 % similar Hexafluoroacetone trihydrate34202-69-235 % similar Trifluoroacetyl chloride354-32-535 % similar Trifluoroacetic anhydride407-25-035 % similar Trifluoroacetone421-50-135 % similar Trifluoroacetic acid76-05-135 % similar

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

Same formula

Desflurane57041-67-5 Hexafluoro-2-propanol920-66-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook