chempirical

1-(2H-Perfluoropropyl)ethanol

C5H6F6OCAS 2711-81-1196.09 g/mol

Open in Covalent MOL file
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AlcoholAlkyl halide

Properties

Molecular formula
C5H6F6O
Molar mass
196.09 g/mol
Exact mass
196.0323 Da
logP
1.90Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2711-81-1
SMILES
CC(C(C(C(F)(F)F)F)(F)F)O
InChIKey
BBNMWXDGNGRANP-UHFFFAOYSA-N
InChI
InChI=1S/C5H6F6O/c1-2(12)4(7,8)3(6)5(9,10)11/h2-3,12H,1H3

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Names and synonyms

1 names
  • 3,3,4,5,5,5-Hexafluoropentan-2-ol

Work with 1-(2H-Perfluoropropyl)ethanol

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

(2S)-1,1,1-Trifluoropropan-2-ol3539-97-752 % similar 1,1,1-Trifluoro-2-propanol374-01-652 % similar 1,1,1,2,3,3,3-Heptafluoropropane431-89-045 % similar 3,3,4,4,4-Pentafluoro-2-butanol374-40-339 % similar 2,2,3,4,4,4-Hexafluoro-1-butanol382-31-037 % similar 1,1,2,3,3,3-Hexafluoropropyl methyl ether382-34-337 % similar Pinacolyl alcohol464-07-335 % similar N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine309-88-633 % similar

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

Same formula

3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propan-1-ol2927-17-5 Ethyl 1,1,2,3,3,3-hexafluoropropyl ether380-34-7

Elsewhere

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