2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-1-heptanol

C7H4F12OCAS 335-99-9332.09 g/mol

Open in Covalent MOL file
HOFFFFFFFFFFFF
AlcoholAlkyl halide

Properties

Molecular formula
C7H4F12O
Molar mass
332.09 g/mol
Exact mass
332.0071 Da
Density
1.5574 g/mL (at 20 °C)
Melting point
−14 °C
Boiling point
169–170 °C
logP
3.42Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
335-99-9
SMILES
OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIKey
BYKNGMLDSIEFFG-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F12O/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-20/h2,20H,1H2

Weigh it out

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

Names and synonyms

17 names · show all
  • 1-Heptanol, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-
  • 1H,1H,7H-Dodecafluoro-1-heptanol
  • 1,1,7-Trihydroperfluoroheptyl alcohol
  • 1H,1H,7H-Dodecafluoro-1-hydroxyheptane
  • 1,1,7-Trihydroperfluoroheptanol
  • 1,1,7-Trihydrododecafluoroheptan-1-ol
  • 1,1,7-Trihydrododecafluoroheptanol
  • 1H,1H,7H-Dodecafluoroheptanol
  • α,α,ω-Trihydroperfluoroheptanol
  • Dodecylfluoroheptanol
  • 1H,1H,7H-Dodecafluoro-n-heptanol
  • 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanol
  • 1,1,7-Trihydroperfluoro-1-heptanol
  • NSC 115
  • 1H,1H,7H-Perfluoroheptanol
  • Dodecafluoroheptanol
  • 1H,1H,7H-Perfluoro-1-heptanol

Work with 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-1-heptanol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Eicosafluoro-1-undecanol307-70-0100 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1-nonanol376-18-1100 % similar 1H,1H,13H-Perfluorotridecan-1-ol423-72-3100 % similar 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol355-80-685 % similar 1H,1H,12H,12H-Perfluoro-1,12-dodecanediol183162-43-864 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8-Tetradecafluoro-1,9-nonanediol203303-01-964 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediol754-96-164 % similar 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-1,8-octanediol90177-96-164 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1H,1H,5H-Perfluoropentyl-1,1,2,2-tetrafluoroethylether16627-71-7

Elsewhere

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