lithium [[[oxido-oxo-(trifluoromethyl)-λ6-sulfanylidene]-(trifluoromethylsulfonyl)methyl]-oxo-(trifluoromethyl)-λ6-sulfanylidene]oxidanium

C4HF9LiO6S3+ — CID 170842572

IUPAClithium [[[oxido-oxo-(trifluoromethyl)-λ6-sulfanylidene]-(trifluoromethylsulfonyl)methyl]-oxo-(trifluoromethyl)-λ6-sulfanylidene]oxidanium
SMILES[H][O+]=S(=O)(C(S(=O)(=O)C(F)(F)F)=S(=O)([O-])C(F)(F)F)C(F)(F)F.[Li+]
InChIInChI=1S/C4HF9O6S3.Li/c5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13;/h(H,14,15);/q;+1
InChIKeyRQCMAAKUVIYOPE-UHFFFAOYSA-N
MW419.17 g/mol
LogP-1.96
Rot. Bonds

About lithium [[[oxido-oxo-(trifluoromethyl)-λ6-sulfanylidene]-(trifluoromethylsulfonyl)methyl]-oxo-(trifluoromethyl)-λ6-sulfanylidene]oxidanium

lithium [[[oxido-oxo-(trifluoromethyl)-λ6-sulfanylidene]-(trifluoromethylsulfonyl)methyl]-oxo-(trifluoromethyl)-λ6-sulfanylidene]oxidanium (PubChem CID 170842572) has the molecular formula C4HF9LiO6S3+ and a molecular weight of 419.17 g/mol. Its IUPAC name is lithium [[[oxido-oxo-(trifluoromethyl)-λ6-sulfanylidene]-(trifluoromethylsulfonyl)methyl]-oxo-(trifluoromethyl)-λ6-sulfanylidene]oxidanium.

Molecular Properties

Compound Namelithium [[[oxido-oxo-(trifluoromethyl)-λ6-sulfanylidene]-(trifluoromethylsulfonyl)methyl]-oxo-(trifluoromethyl)-λ6-sulfanylidene]oxidanium
PubChem CID170842572
Molecular FormulaC4HF9LiO6S3+
Molecular Weight419.17 g/mol
Exact Mass418.89
IUPAC Namelithium [[[oxido-oxo-(trifluoromethyl)-λ6-sulfanylidene]-(trifluoromethylsulfonyl)methyl]-oxo-(trifluoromethyl)-λ6-sulfanylidene]oxidanium
SMILES[H][O+]=S(=O)(C(S(=O)(=O)C(F)(F)F)=S(=O)([O-])C(F)(F)F)C(F)(F)F.[Li+]
InChIInChI=1S/C4HF9O6S3.Li/c5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13;/h(H,14,15);/q;+1
InChIKeyRQCMAAKUVIYOPE-UHFFFAOYSA-N
XLogP-1.96
TPSA112.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.17
LogP ≤ 5-1.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium [[[oxido-oxo-(trifluoromethyl)-λ6-sulfanylidene]-(trifluoromethylsulfonyl)methyl]-oxo-(trifluoromethyl)-λ6-sulfanylidene]oxidanium?
The IUPAC name of lithium [[[oxido-oxo-(trifluoromethyl)-λ6-sulfanylidene]-(trifluoromethylsulfonyl)methyl]-oxo-(trifluoromethyl)-λ6-sulfanylidene]oxidanium (CID 170842572) is lithium [[[oxido-oxo-(trifluoromethyl)-λ6-sulfanylidene]-(trifluoromethylsulfonyl)methyl]-oxo-(trifluoromethyl)-λ6-sulfanylidene]oxidanium.
What is the SMILES notation for lithium [[[oxido-oxo-(trifluoromethyl)-λ6-sulfanylidene]-(trifluoromethylsulfonyl)methyl]-oxo-(trifluoromethyl)-λ6-sulfanylidene]oxidanium?
The canonical SMILES for lithium [[[oxido-oxo-(trifluoromethyl)-λ6-sulfanylidene]-(trifluoromethylsulfonyl)methyl]-oxo-(trifluoromethyl)-λ6-sulfanylidene]oxidanium is [H][O+]=S(=O)(C(S(=O)(=O)C(F)(F)F)=S(=O)([O-])C(F)(F)F)C(F)(F)F.[Li+].
What is the InChIKey of lithium [[[oxido-oxo-(trifluoromethyl)-λ6-sulfanylidene]-(trifluoromethylsulfonyl)methyl]-oxo-(trifluoromethyl)-λ6-sulfanylidene]oxidanium?
The InChIKey is RQCMAAKUVIYOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9O6S3.Li/c5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13;/h(H,14,15);/q;+1.
What are the key properties of lithium [[[oxido-oxo-(trifluoromethyl)-λ6-sulfanylidene]-(trifluoromethylsulfonyl)methyl]-oxo-(trifluoromethyl)-λ6-sulfanylidene]oxidanium?
lithium [[[oxido-oxo-(trifluoromethyl)-λ6-sulfanylidene]-(trifluoromethylsulfonyl)methyl]-oxo-(trifluoromethyl)-λ6-sulfanylidene]oxidanium has a molecular weight of 419.17 g/mol, XLogP of -1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [[[oxido-oxo-(trifluoromethyl)-λ6-sulfanylidene]-(trifluoromethylsulfonyl)methyl]-oxo-(trifluoromethyl)-λ6-sulfanylidene]oxidanium is sourced from PubChem (CID 170842572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).