1,1,1,3,3,3-Hexafluoro(2-2H)propan-2-(2H)ol

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

Hazards

Danger

H302 Harmful if swallowed95.7% of notifiers
H312 Harmful in contact with skin93.6% of notifiers
H314 Causes severe skin burns and eye damage97.9% of notifiers
H332 Harmful if inhaled95.7% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

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

2 names

2-Propan-2-D-ol-D, 1,1,1,3,3,3-hexafluoro-
HFIP-d2

Work with 1,1,1,3,3,3-Hexafluoro(2-2H)propan-2-(2H)ol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Hexafluoro-2-propanol920-66-1Unlabelled 1,1,1,3,3,3-Hexafluoro-2-propanol29463-77-2Unlabelled

Similar compounds

Trifluoroacetic acid-d599-00-844 % similar Hexafluoroacetone684-16-241 % similar 1,1,1,3,5,5,5-Heptafluoropentane-2,4-dione77968-17-338 % 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

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

Same formula

Desflurane57041-67-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook