lithium 1,1,2,2-tetrafluoropentane-1-sulfonate

C5H7F4LiO3S — CID 122481559

IUPAClithium 1,1,2,2-tetrafluoropentane-1-sulfonate
SMILESCCCC(F)(F)C(F)(F)S(=O)(=O)[O-].[Li+]
InChIInChI=1S/C5H8F4O3S.Li/c1-2-3-4(6,7)5(8,9)13(10,11)12;/h2-3H2,1H3,(H,10,11,12);/q;+1/p-1
InChIKeyQNZZOMDRHLEQAX-UHFFFAOYSA-M
MW230.11 g/mol
LogP-1.44
Rot. Bonds4

About lithium 1,1,2,2-tetrafluoropentane-1-sulfonate

lithium 1,1,2,2-tetrafluoropentane-1-sulfonate (PubChem CID 122481559) has the molecular formula C5H7F4LiO3S and a molecular weight of 230.11 g/mol. Its IUPAC name is lithium 1,1,2,2-tetrafluoropentane-1-sulfonate.

Molecular Properties

Compound Namelithium 1,1,2,2-tetrafluoropentane-1-sulfonate
PubChem CID122481559
Molecular FormulaC5H7F4LiO3S
Molecular Weight230.11 g/mol
Exact Mass230.02
IUPAC Namelithium 1,1,2,2-tetrafluoropentane-1-sulfonate
SMILESCCCC(F)(F)C(F)(F)S(=O)(=O)[O-].[Li+]
InChIInChI=1S/C5H8F4O3S.Li/c1-2-3-4(6,7)5(8,9)13(10,11)12;/h2-3H2,1H3,(H,10,11,12);/q;+1/p-1
InChIKeyQNZZOMDRHLEQAX-UHFFFAOYSA-M
XLogP-1.44
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 5-1.44
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-tetrafluoropentane-1-sulfonate?
The IUPAC name of lithium 1,1,2,2-tetrafluoropentane-1-sulfonate (CID 122481559) is lithium 1,1,2,2-tetrafluoropentane-1-sulfonate.
What is the SMILES notation for lithium 1,1,2,2-tetrafluoropentane-1-sulfonate?
The canonical SMILES for lithium 1,1,2,2-tetrafluoropentane-1-sulfonate is CCCC(F)(F)C(F)(F)S(=O)(=O)[O-].[Li+].
What is the InChIKey of lithium 1,1,2,2-tetrafluoropentane-1-sulfonate?
The InChIKey is QNZZOMDRHLEQAX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8F4O3S.Li/c1-2-3-4(6,7)5(8,9)13(10,11)12;/h2-3H2,1H3,(H,10,11,12);/q;+1/p-1.
What are the key properties of lithium 1,1,2,2-tetrafluoropentane-1-sulfonate?
lithium 1,1,2,2-tetrafluoropentane-1-sulfonate has a molecular weight of 230.11 g/mol, XLogP of -1.44, 4 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-tetrafluoropentane-1-sulfonate is sourced from PubChem (CID 122481559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).