2-(Perfluorobutyl)ethanol

C6H5F9OCAS 2043-47-2264.09 g/mol

Open in Covalent MOL file
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AlcoholAlkyl halide

Properties

Molecular formula
C6H5F9O
Molar mass
264.09 g/mol
Exact mass
264.0197 Da
Boiling point
65 °C (at 20 Torr)
logP
2.84Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2043-47-2
SMILES
OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
JCMNMOBHVPONLD-UHFFFAOYSA-N
InChI
InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2

Weigh it out

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

Names and synonyms

16 names · show all
  • 1-Hexanol, 3,3,4,4,5,5,6,6,6-nonafluoro-
  • 3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexanol
  • 2-(Perfluorobutyl)ethyl alcohol
  • 1,1,2,2-Tetrahydroperfluorohexyl alcohol
  • 1H,1H,2H,2H-Perfluorohexanol
  • 1H,1H,2H,2H-Perfluorohexan-1-ol
  • 1H,1H,2H,2H-Nonafluorohexanol
  • A 1420
  • 3,3,4,4,5,5,6,6,6-Nonafluorohexanol
  • 1H,1H,2H,2H-Nonafluoro-1-hexanol
  • 1H,1H,2H,2H-Nonafluoro-n-hexanol
  • 1,1,2,2-Tetrahydroperfluorohexan-1-ol
  • 4:2 FTOH
  • TEOH 4
  • Perfluorobutylethanol
  • 6,6,6,5,5,4,4,3,3-Nonafluorohexan-1-ol

Work with 2-(Perfluorobutyl)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

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol647-42-795 % similar 1,1,2,2-Tetrahydroperfluoro-1-decanol678-39-795 % similar 2-(Perfluorodecyl)ethanol865-86-195 % similar 3,3,4,4,5,5,6,6-Octafluoro-1,8-octanediol83192-87-481 % similar 4,4,5,5,6,6,7,7,7-Nonafluoro-1-heptanol83310-97-876 % similar 3-(Perfluorooctyl)propanol1651-41-873 % similar 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-nonanol80806-68-473 % similar 1H,1H,2H,2H-Perfluoro-7-methyloctan-1-ol20015-46-770 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl perfluorobutyl ether163702-05-4 Ethyl nonafluoroisobutyl ether163702-06-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook