6-(2-hexoxyethoxy)hexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydrofluoride

C18H30F10O5S — CID 18995497

IUPAC6-(2-hexoxyethoxy)hexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydrofluoride
SMILESCCCCCCOCCOCCCCCCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.F
InChIInChI=1S/C18H29F9O5S.FH/c1-2-3-4-7-10-30-13-14-31-11-8-5-6-9-12-32-33(28,29)18(26,27)16(21,22)15(19,20)17(23,24)25;/h2-14H2,1H3;1H
InChIKeyHMYLBZCFTAKHMF-UHFFFAOYSA-N
MW548.48 g/mol
LogP6.08
Rot. Bonds19

About 6-(2-hexoxyethoxy)hexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydrofluoride

6-(2-hexoxyethoxy)hexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydrofluoride (PubChem CID 18995497) has the molecular formula C18H30F10O5S and a molecular weight of 548.48 g/mol. Its IUPAC name is 6-(2-hexoxyethoxy)hexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydrofluoride.

Molecular Properties

Compound Name6-(2-hexoxyethoxy)hexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydrofluoride
PubChem CID18995497
Molecular FormulaC18H30F10O5S
Molecular Weight548.48 g/mol
Exact Mass548.17
IUPAC Name6-(2-hexoxyethoxy)hexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydrofluoride
SMILESCCCCCCOCCOCCCCCCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.F
InChIInChI=1S/C18H29F9O5S.FH/c1-2-3-4-7-10-30-13-14-31-11-8-5-6-9-12-32-33(28,29)18(26,27)16(21,22)15(19,20)17(23,24)25;/h2-14H2,1H3;1H
InChIKeyHMYLBZCFTAKHMF-UHFFFAOYSA-N
XLogP6.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.48
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 6-(2-hexoxyethoxy)hexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydrofluoride with MolForge

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Related Compounds

3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)propyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 87128204
[butoxy(dimethyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 139975104
[decyl(dimethyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 141102566
[diheptyl(hexyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 141102433
[butoxy(dimethyl)-λ4-sulfanyl] 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 139975074
4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butyl hydrogen sulfate
CID 87407743
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-octoxydodecane
CID 18787826
bis(3-hexoxypropyl) sulfate
CID 139845289
2-(2-hexadecoxyethoxy)ethyl methanesulfonate
CID 174987628
1-(2-decoxyethoxy)decane
CID 14009354
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953

Frequently Asked Questions

What is the IUPAC name of 6-(2-hexoxyethoxy)hexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydrofluoride?
The IUPAC name of 6-(2-hexoxyethoxy)hexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydrofluoride (CID 18995497) is 6-(2-hexoxyethoxy)hexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydrofluoride.
What is the SMILES notation for 6-(2-hexoxyethoxy)hexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydrofluoride?
The canonical SMILES for 6-(2-hexoxyethoxy)hexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydrofluoride is CCCCCCOCCOCCCCCCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.F.
What is the InChIKey of 6-(2-hexoxyethoxy)hexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydrofluoride?
The InChIKey is HMYLBZCFTAKHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F9O5S.FH/c1-2-3-4-7-10-30-13-14-31-11-8-5-6-9-12-32-33(28,29)18(26,27)16(21,22)15(19,20)17(23,24)25;/h2-14H2,1H3;1H.
What are the key properties of 6-(2-hexoxyethoxy)hexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydrofluoride?
6-(2-hexoxyethoxy)hexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydrofluoride has a molecular weight of 548.48 g/mol, XLogP of 6.08, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hexoxyethoxy)hexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;hydrofluoride is sourced from PubChem (CID 18995497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).