lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate

C11H11F12LiO3S — CID 141492467

IUPAClithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CCCCCC(F)(F)F.[Li+]
InChIInChI=1S/C11H12F12O3S.Li/c12-6(4-2-1-3-5-7(13,14)15)8(16,17)9(18,19)10(20,21)11(22,23)27(24,25)26;/h6H,1-5H2,(H,24,25,26);/q;+1/p-1
InChIKeyBDAMYZGYMUICTB-UHFFFAOYSA-M
MW458.19 g/mol
LogP1.89
Rot. Bonds10

About lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate

lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate (PubChem CID 141492467) has the molecular formula C11H11F12LiO3S and a molecular weight of 458.19 g/mol. Its IUPAC name is lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate.

Molecular Properties

Compound Namelithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate
PubChem CID141492467
Molecular FormulaC11H11F12LiO3S
Molecular Weight458.19 g/mol
Exact Mass458.04
IUPAC Namelithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CCCCCC(F)(F)F.[Li+]
InChIInChI=1S/C11H12F12O3S.Li/c12-6(4-2-1-3-5-7(13,14)15)8(16,17)9(18,19)10(20,21)11(22,23)27(24,25)26;/h6H,1-5H2,(H,24,25,26);/q;+1/p-1
InChIKeyBDAMYZGYMUICTB-UHFFFAOYSA-M
XLogP1.89
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.19
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium 1,1,2,2,3,9,9,9-octafluorononane-1-sulfonate
CID 141492125
1,1,2,2,3,3,4,4,5,5,6,11,11,11-tetradecafluoroundecane-1-sulfonate;tetraethylazanium
CID 141492397
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,10,10,10-hexadecafluorodecane-1-sulfonate
CID 141492503
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,12,12,12-octadecafluorododecane-1-sulfonate;tetraethylazanium
CID 141492366
1,1,2,2,3,3,4,4,5,5,6,10,10,10-tetradecafluorodecane-1-sulfonate;tetraethylazanium
CID 141492276
azane;1,1,2,2,3,3,4,4,5,12,12,12-dodecafluorododecane-1-sulfonic acid
CID 175157494
lithium 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorododecane-1-sulfonate
CID 122481588
N-methylmethanamine;1,1,2,2,3,3,4,4,5,5,6,12,12,12-tetradecafluorododecane-1-sulfonic acid
CID 171932052
lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate
CID 141492430
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,11,11,11-octadecafluoroundecane-1-sulfonate;tetraethylazanium
CID 141492292
potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate
CID 141492670
1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonic acid;prop-2-en-1-amine
CID 175160264

Frequently Asked Questions

What is the IUPAC name of lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate?
The IUPAC name of lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate (CID 141492467) is lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate.
What is the SMILES notation for lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate?
The canonical SMILES for lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CCCCCC(F)(F)F.[Li+].
What is the InChIKey of lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate?
The InChIKey is BDAMYZGYMUICTB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12F12O3S.Li/c12-6(4-2-1-3-5-7(13,14)15)8(16,17)9(18,19)10(20,21)11(22,23)27(24,25)26;/h6H,1-5H2,(H,24,25,26);/q;+1/p-1.
What are the key properties of lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate?
lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate has a molecular weight of 458.19 g/mol, XLogP of 1.89, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate is sourced from PubChem (CID 141492467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).