lithium 1,1-difluorohexane-1-sulfonate

C6H11F2LiO3S — CID 122481859

IUPAClithium 1,1-difluorohexane-1-sulfonate
SMILESCCCCCC(F)(F)S(=O)(=O)[O-].[Li+]
InChIInChI=1S/C6H12F2O3S.Li/c1-2-3-4-5-6(7,8)12(9,10)11;/h2-5H2,1H3,(H,9,10,11);/q;+1/p-1
InChIKeyHTQGPZHMFMVNMD-UHFFFAOYSA-M
MW208.15 g/mol
LogP-1.29
Rot. Bonds5

About lithium 1,1-difluorohexane-1-sulfonate

lithium 1,1-difluorohexane-1-sulfonate (PubChem CID 122481859) has the molecular formula C6H11F2LiO3S and a molecular weight of 208.15 g/mol. Its IUPAC name is lithium 1,1-difluorohexane-1-sulfonate.

Molecular Properties

Compound Namelithium 1,1-difluorohexane-1-sulfonate
PubChem CID122481859
Molecular FormulaC6H11F2LiO3S
Molecular Weight208.15 g/mol
Exact Mass208.06
IUPAC Namelithium 1,1-difluorohexane-1-sulfonate
SMILESCCCCCC(F)(F)S(=O)(=O)[O-].[Li+]
InChIInChI=1S/C6H12F2O3S.Li/c1-2-3-4-5-6(7,8)12(9,10)11;/h2-5H2,1H3,(H,9,10,11);/q;+1/p-1
InChIKeyHTQGPZHMFMVNMD-UHFFFAOYSA-M
XLogP-1.29
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 5-1.29
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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Frequently Asked Questions

What is the IUPAC name of lithium 1,1-difluorohexane-1-sulfonate?
The IUPAC name of lithium 1,1-difluorohexane-1-sulfonate (CID 122481859) is lithium 1,1-difluorohexane-1-sulfonate.
What is the SMILES notation for lithium 1,1-difluorohexane-1-sulfonate?
The canonical SMILES for lithium 1,1-difluorohexane-1-sulfonate is CCCCCC(F)(F)S(=O)(=O)[O-].[Li+].
What is the InChIKey of lithium 1,1-difluorohexane-1-sulfonate?
The InChIKey is HTQGPZHMFMVNMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12F2O3S.Li/c1-2-3-4-5-6(7,8)12(9,10)11;/h2-5H2,1H3,(H,9,10,11);/q;+1/p-1.
What are the key properties of lithium 1,1-difluorohexane-1-sulfonate?
lithium 1,1-difluorohexane-1-sulfonate has a molecular weight of 208.15 g/mol, XLogP of -1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1-difluorohexane-1-sulfonate is sourced from PubChem (CID 122481859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).