lithium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

C4F9LiO3S — CID 23681910

IUPAClithium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C4HF9O3S.Li/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H,14,15,16);/q;+1/p-1
InChIKeyFEDFHMISXKDOJI-UHFFFAOYSA-M
MW306.03 g/mol
LogP-1.04
Rot. Bonds3

About lithium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

lithium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (PubChem CID 23681910) has the molecular formula C4F9LiO3S and a molecular weight of 306.03 g/mol. Its IUPAC name is lithium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.

Molecular Properties

Compound Namelithium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
PubChem CID23681910
Molecular FormulaC4F9LiO3S
Molecular Weight306.03 g/mol
Exact Mass305.96
IUPAC Namelithium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C4HF9O3S.Li/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H,14,15,16);/q;+1/p-1
InChIKeyFEDFHMISXKDOJI-UHFFFAOYSA-M
XLogP-1.04
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.03
LogP ≤ 5-1.04
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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Frequently Asked Questions

What is the IUPAC name of lithium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The IUPAC name of lithium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (CID 23681910) is lithium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.
What is the SMILES notation for lithium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The canonical SMILES for lithium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Li+].
What is the InChIKey of lithium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The InChIKey is FEDFHMISXKDOJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4HF9O3S.Li/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H,14,15,16);/q;+1/p-1.
What are the key properties of lithium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
lithium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate has a molecular weight of 306.03 g/mol, XLogP of -1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is sourced from PubChem (CID 23681910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).