lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate

C12H19F6LiO3S — CID 141492430

IUPAClithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)CCCCCCCCCC(F)(F)F.[Li+]
InChIInChI=1S/C12H20F6O3S.Li/c13-10(12(17,18)22(19,20)21)8-6-4-2-1-3-5-7-9-11(14,15)16;/h10H,1-9H2,(H,19,20,21);/q;+1/p-1
InChIKeyOLPCXCIFAJMBRB-UHFFFAOYSA-M
MW364.28 g/mol
LogP1.54
Rot. Bonds11

About lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate

lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate (PubChem CID 141492430) has the molecular formula C12H19F6LiO3S and a molecular weight of 364.28 g/mol. Its IUPAC name is lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate.

Molecular Properties

Compound Namelithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate
PubChem CID141492430
Molecular FormulaC12H19F6LiO3S
Molecular Weight364.28 g/mol
Exact Mass364.11
IUPAC Namelithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)CCCCCCCCCC(F)(F)F.[Li+]
InChIInChI=1S/C12H20F6O3S.Li/c13-10(12(17,18)22(19,20)21)8-6-4-2-1-3-5-7-9-11(14,15)16;/h10H,1-9H2,(H,19,20,21);/q;+1/p-1
InChIKeyOLPCXCIFAJMBRB-UHFFFAOYSA-M
XLogP1.54
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate
CID 141492670
lithium 1,1,2,2,3,9,9,9-octafluorononane-1-sulfonate
CID 141492125
sodium 1,1,2-trifluorododecane-1-sulfonate
CID 122480987
lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate
CID 141492467
potassium 1,1,2-trifluoroheptane-1-sulfonate
CID 122481633
lithium 1,1,2-trifluorohexane-1-sulfonate
CID 122481658
potassium 1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141491902
dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141492118
dimethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate
CID 141492373
1,4-dioxane;1,1,2,7,7,7-hexafluoroheptane-1-sulfonic acid
CID 157285848
CID 88736755
CID 88736755
1,7,7,7-tetrafluoroheptane-1-sulfonic acid
CID 141491980

Frequently Asked Questions

What is the IUPAC name of lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate?
The IUPAC name of lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate (CID 141492430) is lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate.
What is the SMILES notation for lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate?
The canonical SMILES for lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate is O=S(=O)([O-])C(F)(F)C(F)CCCCCCCCCC(F)(F)F.[Li+].
What is the InChIKey of lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate?
The InChIKey is OLPCXCIFAJMBRB-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H20F6O3S.Li/c13-10(12(17,18)22(19,20)21)8-6-4-2-1-3-5-7-9-11(14,15)16;/h10H,1-9H2,(H,19,20,21);/q;+1/p-1.
What are the key properties of lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate?
lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate has a molecular weight of 364.28 g/mol, XLogP of 1.54, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate is sourced from PubChem (CID 141492430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).