lithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate

C6H5F8LiO3S — CID 134207024

IUPAClithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate
SMILESO=S(=O)([O-])C(F)C(F)(F)C(F)C(F)C(F)C(F)F.[Li+]
InChIInChI=1S/C6H6F8O3S.Li/c7-1(2(8)4(10)11)3(9)6(13,14)5(12)18(15,16)17;/h1-5H,(H,15,16,17);/q;+1/p-1
InChIKeyMUKODYAABJRCCF-UHFFFAOYSA-M
MW316.09 g/mol
LogP-1.25
Rot. Bonds6

About lithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate

lithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate (PubChem CID 134207024) has the molecular formula C6H5F8LiO3S and a molecular weight of 316.09 g/mol. Its IUPAC name is lithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate.

Molecular Properties

Compound Namelithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate
PubChem CID134207024
Molecular FormulaC6H5F8LiO3S
Molecular Weight316.09 g/mol
Exact Mass316.00
IUPAC Namelithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate
SMILESO=S(=O)([O-])C(F)C(F)(F)C(F)C(F)C(F)C(F)F.[Li+]
InChIInChI=1S/C6H6F8O3S.Li/c7-1(2(8)4(10)11)3(9)6(13,14)5(12)18(15,16)17;/h1-5H,(H,15,16,17);/q;+1/p-1
InChIKeyMUKODYAABJRCCF-UHFFFAOYSA-M
XLogP-1.25
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.09
LogP ≤ 5-1.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

potassium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate
CID 134206944
potassium 1,2,2,3,4,5,6,7,8,8-decafluorooctane-1-sulfonate
CID 134207096
potassium 1,2,2,3,4,4-hexafluorobutane-1-sulfonate
CID 134206422
lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate
CID 134207484
lithium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,11,12,12-icosafluorododecane-1-sulfonate
CID 134207622
potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate
CID 134206791
potassium 1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-hexadecafluorodecane-1-sulfonate
CID 134206568
lithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate
CID 134207102
potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,12,12-henicosafluorododecane-1-sulfonate
CID 134206795
lithium 1,2,2,2-tetrafluoroethanesulfonate
CID 174226191
1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate;tetraethylazanium
CID 134207049
lithium 1,2,3,4,4-pentafluorobutane-1-sulfonate
CID 134206696

Frequently Asked Questions

What is the IUPAC name of lithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate?
The IUPAC name of lithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate (CID 134207024) is lithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate.
What is the SMILES notation for lithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate?
The canonical SMILES for lithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate is O=S(=O)([O-])C(F)C(F)(F)C(F)C(F)C(F)C(F)F.[Li+].
What is the InChIKey of lithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate?
The InChIKey is MUKODYAABJRCCF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6F8O3S.Li/c7-1(2(8)4(10)11)3(9)6(13,14)5(12)18(15,16)17;/h1-5H,(H,15,16,17);/q;+1/p-1.
What are the key properties of lithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate?
lithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate has a molecular weight of 316.09 g/mol, XLogP of -1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate is sourced from PubChem (CID 134207024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).