tris[fluoro(trimethylsilyloxy)phosphoryl] phosphate

C9H27F3O10P4Si3 — CID 167586112

IUPACtris[fluoro(trimethylsilyloxy)phosphoryl] phosphate
SMILESC[Si](C)(C)OP(=O)(F)OP(=O)(OP(=O)(F)O[Si](C)(C)C)OP(=O)(F)O[Si](C)(C)C
InChIInChI=1S/C9H27F3O10P4Si3/c1-27(2,3)20-23(10,13)17-26(16,18-24(11,14)21-28(4,5)6)19-25(12,15)22-29(7,8)9/h1-9H3
InChIKeyPYOMKZDLRNGGBE-UHFFFAOYSA-N
MW560.45 g/mol
LogP7.93
Rot. Bonds12

About tris[fluoro(trimethylsilyloxy)phosphoryl] phosphate

tris[fluoro(trimethylsilyloxy)phosphoryl] phosphate (PubChem CID 167586112) has the molecular formula C9H27F3O10P4Si3 and a molecular weight of 560.45 g/mol. Its IUPAC name is tris[fluoro(trimethylsilyloxy)phosphoryl] phosphate.

Molecular Properties

Compound Nametris[fluoro(trimethylsilyloxy)phosphoryl] phosphate
PubChem CID167586112
Molecular FormulaC9H27F3O10P4Si3
Molecular Weight560.45 g/mol
Exact Mass559.98
IUPAC Nametris[fluoro(trimethylsilyloxy)phosphoryl] phosphate
SMILESC[Si](C)(C)OP(=O)(F)OP(=O)(OP(=O)(F)O[Si](C)(C)C)OP(=O)(F)O[Si](C)(C)C
InChIInChI=1S/C9H27F3O10P4Si3/c1-27(2,3)20-23(10,13)17-26(16,18-24(11,14)21-28(4,5)6)19-25(12,15)22-29(7,8)9/h1-9H3
InChIKeyPYOMKZDLRNGGBE-UHFFFAOYSA-N
XLogP7.93
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.45
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 tris[fluoro(trimethylsilyloxy)phosphoryl] phosphate?
The IUPAC name of tris[fluoro(trimethylsilyloxy)phosphoryl] phosphate (CID 167586112) is tris[fluoro(trimethylsilyloxy)phosphoryl] phosphate.
What is the SMILES notation for tris[fluoro(trimethylsilyloxy)phosphoryl] phosphate?
The canonical SMILES for tris[fluoro(trimethylsilyloxy)phosphoryl] phosphate is C[Si](C)(C)OP(=O)(F)OP(=O)(OP(=O)(F)O[Si](C)(C)C)OP(=O)(F)O[Si](C)(C)C.
What is the InChIKey of tris[fluoro(trimethylsilyloxy)phosphoryl] phosphate?
The InChIKey is PYOMKZDLRNGGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H27F3O10P4Si3/c1-27(2,3)20-23(10,13)17-26(16,18-24(11,14)21-28(4,5)6)19-25(12,15)22-29(7,8)9/h1-9H3.
What are the key properties of tris[fluoro(trimethylsilyloxy)phosphoryl] phosphate?
tris[fluoro(trimethylsilyloxy)phosphoryl] phosphate has a molecular weight of 560.45 g/mol, XLogP of 7.93, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris[fluoro(trimethylsilyloxy)phosphoryl] phosphate is sourced from PubChem (CID 167586112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).