lithium;benzenesulfonate;pentafluoro-λ5-phosphane

C6H5F5LiO3PS — CID 157098651

IUPAClithium;benzenesulfonate;pentafluoro-λ5-phosphane
SMILESFP(F)(F)(F)F.O=S(=O)([O-])c1ccccc1.[Li+]
InChIInChI=1S/C6H6O3S.F5P.Li/c7-10(8,9)6-4-2-1-3-5-6;1-6(2,3,4)5;/h1-5H,(H,7,8,9);;/q;;+1/p-1
InChIKeyFASDMNVGTGRKIA-UHFFFAOYSA-M
MW290.07 g/mol
LogP0.56
Rot. Bonds1

About lithium;benzenesulfonate;pentafluoro-λ5-phosphane

lithium;benzenesulfonate;pentafluoro-λ5-phosphane (PubChem CID 157098651) has the molecular formula C6H5F5LiO3PS and a molecular weight of 290.07 g/mol. Its IUPAC name is lithium;benzenesulfonate;pentafluoro-λ5-phosphane.

Molecular Properties

Compound Namelithium;benzenesulfonate;pentafluoro-λ5-phosphane
PubChem CID157098651
Molecular FormulaC6H5F5LiO3PS
Molecular Weight290.07 g/mol
Exact Mass289.98
IUPAC Namelithium;benzenesulfonate;pentafluoro-λ5-phosphane
SMILESFP(F)(F)(F)F.O=S(=O)([O-])c1ccccc1.[Li+]
InChIInChI=1S/C6H6O3S.F5P.Li/c7-10(8,9)6-4-2-1-3-5-6;1-6(2,3,4)5;/h1-5H,(H,7,8,9);;/q;;+1/p-1
InChIKeyFASDMNVGTGRKIA-UHFFFAOYSA-M
XLogP0.56
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.07
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze lithium;benzenesulfonate;pentafluoro-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium;benzenesulfonate;pentafluoro-λ5-phosphane?
The IUPAC name of lithium;benzenesulfonate;pentafluoro-λ5-phosphane (CID 157098651) is lithium;benzenesulfonate;pentafluoro-λ5-phosphane.
What is the SMILES notation for lithium;benzenesulfonate;pentafluoro-λ5-phosphane?
The canonical SMILES for lithium;benzenesulfonate;pentafluoro-λ5-phosphane is FP(F)(F)(F)F.O=S(=O)([O-])c1ccccc1.[Li+].
What is the InChIKey of lithium;benzenesulfonate;pentafluoro-λ5-phosphane?
The InChIKey is FASDMNVGTGRKIA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O3S.F5P.Li/c7-10(8,9)6-4-2-1-3-5-6;1-6(2,3,4)5;/h1-5H,(H,7,8,9);;/q;;+1/p-1.
What are the key properties of lithium;benzenesulfonate;pentafluoro-λ5-phosphane?
lithium;benzenesulfonate;pentafluoro-λ5-phosphane has a molecular weight of 290.07 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;benzenesulfonate;pentafluoro-λ5-phosphane is sourced from PubChem (CID 157098651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).