chempirical

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol

C8H5F13SCAS 34451-26-8380.17 g/mol

Open in Covalent MOL file
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Alkyl halideThiol

Properties

Molecular formula
C8H5F13S
Molar mass
380.17 g/mol
Exact mass
379.9904 Da
Boiling point
120 °C
logP
5.05Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
6

Identifiers

CAS number
34451-26-8
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS
InChIKey
GTPHVVCYEWPQFE-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F13S/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2

Weigh it out

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

Names and synonyms

8 names
  • 1-Octanethiol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-
  • 1,1,2,2-Tetrahydroperfluorooctanethiol
  • 2-(Perfluorohexyl)ethanethiol
  • 1,1,2,2-Tetrahydroperfluorooctyl mercaptan
  • Foralkyl EM 6
  • 1H,1H,2H,2H-Perfluorooctanethiol
  • 2-(Perfluorohexyl)ethane-1-thiol
  • 1H,1H,1H,2H-Perfluorooctanethiol

Work with 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol

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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane2043-53-057 % similar 1-Iodo-1H,1H,2H,2H-perfluorododecane2043-54-157 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane2043-57-457 % similar 2-(Perfluorohexyl)ethanol647-42-757 % similar (Perfluorooctyl)ethanol678-39-757 % similar 2-(Perfluorobutyl)ethanol2043-47-254 % similar 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane2043-55-254 % similar 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-nonanol80806-68-453 % similar

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

Elsewhere

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