lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate

C7H5F10LiO3S — CID 134207484

IUPAClithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate
SMILESO=S(=O)([O-])C(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)F.[Li+]
InChIInChI=1S/C7H6F10O3S.Li/c8-1(2(9)4(11)12)3(10)6(14,15)7(16,17)5(13)21(18,19)20;/h1-5H,(H,18,19,20);/q;+1/p-1
InChIKeyRQSYZURREOTUQD-UHFFFAOYSA-M
MW366.10 g/mol
LogP-0.62
Rot. Bonds7

About lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate

lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate (PubChem CID 134207484) has the molecular formula C7H5F10LiO3S and a molecular weight of 366.10 g/mol. Its IUPAC name is lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate.

Molecular Properties

Compound Namelithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate
PubChem CID134207484
Molecular FormulaC7H5F10LiO3S
Molecular Weight366.10 g/mol
Exact Mass366.00
IUPAC Namelithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate
SMILESO=S(=O)([O-])C(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)F.[Li+]
InChIInChI=1S/C7H6F10O3S.Li/c8-1(2(9)4(11)12)3(10)6(14,15)7(16,17)5(13)21(18,19)20;/h1-5H,(H,18,19,20);/q;+1/p-1
InChIKeyRQSYZURREOTUQD-UHFFFAOYSA-M
XLogP-0.62
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
lithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate
CID 134207024
potassium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate
CID 134206944
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
potassium 1,2,2,3,4,5,6,7,8,8-decafluorooctane-1-sulfonate
CID 134207096
1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate;tetraethylazanium
CID 134207049
lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate
CID 134206668
1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecane-1-sulfonate;tetraethylazanium
CID 134207025
potassium 1,2,2,3,4,4-hexafluorobutane-1-sulfonate
CID 134206422

Frequently Asked Questions

What is the IUPAC name of lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate?
The IUPAC name of lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate (CID 134207484) is lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate.
What is the SMILES notation for lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate?
The canonical SMILES for lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate is O=S(=O)([O-])C(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)F.[Li+].
What is the InChIKey of lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate?
The InChIKey is RQSYZURREOTUQD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6F10O3S.Li/c8-1(2(9)4(11)12)3(10)6(14,15)7(16,17)5(13)21(18,19)20;/h1-5H,(H,18,19,20);/q;+1/p-1.
What are the key properties of lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate?
lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate has a molecular weight of 366.10 g/mol, XLogP of -0.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate is sourced from PubChem (CID 134207484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).