dilithium bis(2,3,3,3-tetrafluoro-2-sulfopropanoate)

C6H2F8Li2O10S2 — CID 173154331

IUPACdilithium bis(2,3,3,3-tetrafluoro-2-sulfopropanoate)
SMILESO=C([O-])C(F)(C(F)(F)F)S(=O)(=O)O.O=C([O-])C(F)(C(F)(F)F)S(=O)(=O)O.[Li+].[Li+]
InChIInChI=1S/2C3H2F4O5S.2Li/c2*4-2(1(8)9,3(5,6)7)13(10,11)12;;/h2*(H,8,9)(H,10,11,12);;/q;;2*+1/p-2
InChIKeyCALIGEVKMIJKKQ-UHFFFAOYSA-L
MW464.07 g/mol
LogP-8.29
Rot. Bonds4

About dilithium bis(2,3,3,3-tetrafluoro-2-sulfopropanoate)

dilithium bis(2,3,3,3-tetrafluoro-2-sulfopropanoate) (PubChem CID 173154331) has the molecular formula C6H2F8Li2O10S2 and a molecular weight of 464.07 g/mol. Its IUPAC name is dilithium bis(2,3,3,3-tetrafluoro-2-sulfopropanoate).

Molecular Properties

Compound Namedilithium bis(2,3,3,3-tetrafluoro-2-sulfopropanoate)
PubChem CID173154331
Molecular FormulaC6H2F8Li2O10S2
Molecular Weight464.07 g/mol
Exact Mass463.93
IUPAC Namedilithium bis(2,3,3,3-tetrafluoro-2-sulfopropanoate)
SMILESO=C([O-])C(F)(C(F)(F)F)S(=O)(=O)O.O=C([O-])C(F)(C(F)(F)F)S(=O)(=O)O.[Li+].[Li+]
InChIInChI=1S/2C3H2F4O5S.2Li/c2*4-2(1(8)9,3(5,6)7)13(10,11)12;;/h2*(H,8,9)(H,10,11,12);;/q;;2*+1/p-2
InChIKeyCALIGEVKMIJKKQ-UHFFFAOYSA-L
XLogP-8.29
TPSA189.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.07
LogP ≤ 5-8.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dilithium bis(2,3,3,3-tetrafluoro-2-sulfopropanoate)?
The IUPAC name of dilithium bis(2,3,3,3-tetrafluoro-2-sulfopropanoate) (CID 173154331) is dilithium bis(2,3,3,3-tetrafluoro-2-sulfopropanoate).
What is the SMILES notation for dilithium bis(2,3,3,3-tetrafluoro-2-sulfopropanoate)?
The canonical SMILES for dilithium bis(2,3,3,3-tetrafluoro-2-sulfopropanoate) is O=C([O-])C(F)(C(F)(F)F)S(=O)(=O)O.O=C([O-])C(F)(C(F)(F)F)S(=O)(=O)O.[Li+].[Li+].
What is the InChIKey of dilithium bis(2,3,3,3-tetrafluoro-2-sulfopropanoate)?
The InChIKey is CALIGEVKMIJKKQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H2F4O5S.2Li/c2*4-2(1(8)9,3(5,6)7)13(10,11)12;;/h2*(H,8,9)(H,10,11,12);;/q;;2*+1/p-2.
What are the key properties of dilithium bis(2,3,3,3-tetrafluoro-2-sulfopropanoate)?
dilithium bis(2,3,3,3-tetrafluoro-2-sulfopropanoate) has a molecular weight of 464.07 g/mol, XLogP of -8.29, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium bis(2,3,3,3-tetrafluoro-2-sulfopropanoate) is sourced from PubChem (CID 173154331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).