lithium;difluorophosphinate;tris(trimethylsilyl) phosphate

C9H27F2LiO6P2Si3 — CID 175760786

IUPAClithium;difluorophosphinate;tris(trimethylsilyl) phosphate
SMILESC[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C.O=P([O-])(F)F.[Li+]
InChIInChI=1S/C9H27O4PSi3.F2HO2P.Li/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9;1-5(2,3)4;/h1-9H3;(H,3,4);/q;;+1/p-1
InChIKeyXRCYGCFNWUROKX-UHFFFAOYSA-M
MW422.45 g/mol
LogP2.05
Rot. Bonds6

About lithium;difluorophosphinate;tris(trimethylsilyl) phosphate

lithium;difluorophosphinate;tris(trimethylsilyl) phosphate (PubChem CID 175760786) has the molecular formula C9H27F2LiO6P2Si3 and a molecular weight of 422.45 g/mol. Its IUPAC name is lithium;difluorophosphinate;tris(trimethylsilyl) phosphate.

Molecular Properties

Compound Namelithium;difluorophosphinate;tris(trimethylsilyl) phosphate
PubChem CID175760786
Molecular FormulaC9H27F2LiO6P2Si3
Molecular Weight422.45 g/mol
Exact Mass422.07
IUPAC Namelithium;difluorophosphinate;tris(trimethylsilyl) phosphate
SMILESC[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C.O=P([O-])(F)F.[Li+]
InChIInChI=1S/C9H27O4PSi3.F2HO2P.Li/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9;1-5(2,3)4;/h1-9H3;(H,3,4);/q;;+1/p-1
InChIKeyXRCYGCFNWUROKX-UHFFFAOYSA-M
XLogP2.05
TPSA84.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;difluorophosphinate;tris(trimethylsilyl) phosphate?
The IUPAC name of lithium;difluorophosphinate;tris(trimethylsilyl) phosphate (CID 175760786) is lithium;difluorophosphinate;tris(trimethylsilyl) phosphate.
What is the SMILES notation for lithium;difluorophosphinate;tris(trimethylsilyl) phosphate?
The canonical SMILES for lithium;difluorophosphinate;tris(trimethylsilyl) phosphate is C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C.O=P([O-])(F)F.[Li+].
What is the InChIKey of lithium;difluorophosphinate;tris(trimethylsilyl) phosphate?
The InChIKey is XRCYGCFNWUROKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H27O4PSi3.F2HO2P.Li/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9;1-5(2,3)4;/h1-9H3;(H,3,4);/q;;+1/p-1.
What are the key properties of lithium;difluorophosphinate;tris(trimethylsilyl) phosphate?
lithium;difluorophosphinate;tris(trimethylsilyl) phosphate has a molecular weight of 422.45 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;difluorophosphinate;tris(trimethylsilyl) phosphate is sourced from PubChem (CID 175760786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).