[ditert-butyl-[fluoro(diphenyl)silyl]oxystannyl]oxy-fluoro-diphenylsilane

C32H38F2O2Si2Sn — CID 16709477

IUPAC[ditert-butyl-[fluoro(diphenyl)silyl]oxystannyl]oxy-fluoro-diphenylsilane
SMILESCC(C)(C)[Sn](O[Si](F)(c1ccccc1)c1ccccc1)(O[Si](F)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/2C12H10FOSi.2C4H9.Sn/c2*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-4(2)3;/h2*1-10H;2*1-3H3;/q2*-1;;;+2
InChIKeyDYIBJNQQUUJDTM-UHFFFAOYSA-N
MW667.53 g/mol
LogP6.51
Rot. Bonds8

About [ditert-butyl-[fluoro(diphenyl)silyl]oxystannyl]oxy-fluoro-diphenylsilane

[ditert-butyl-[fluoro(diphenyl)silyl]oxystannyl]oxy-fluoro-diphenylsilane (PubChem CID 16709477) has the molecular formula C32H38F2O2Si2Sn and a molecular weight of 667.53 g/mol. Its IUPAC name is [ditert-butyl-[fluoro(diphenyl)silyl]oxystannyl]oxy-fluoro-diphenylsilane.

Molecular Properties

Compound Name[ditert-butyl-[fluoro(diphenyl)silyl]oxystannyl]oxy-fluoro-diphenylsilane
PubChem CID16709477
Molecular FormulaC32H38F2O2Si2Sn
Molecular Weight667.53 g/mol
Exact Mass668.14
IUPAC Name[ditert-butyl-[fluoro(diphenyl)silyl]oxystannyl]oxy-fluoro-diphenylsilane
SMILESCC(C)(C)[Sn](O[Si](F)(c1ccccc1)c1ccccc1)(O[Si](F)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/2C12H10FOSi.2C4H9.Sn/c2*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-4(2)3;/h2*1-10H;2*1-3H3;/q2*-1;;;+2
InChIKeyDYIBJNQQUUJDTM-UHFFFAOYSA-N
XLogP6.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.53
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [ditert-butyl-[fluoro(diphenyl)silyl]oxystannyl]oxy-fluoro-diphenylsilane?
The IUPAC name of [ditert-butyl-[fluoro(diphenyl)silyl]oxystannyl]oxy-fluoro-diphenylsilane (CID 16709477) is [ditert-butyl-[fluoro(diphenyl)silyl]oxystannyl]oxy-fluoro-diphenylsilane.
What is the SMILES notation for [ditert-butyl-[fluoro(diphenyl)silyl]oxystannyl]oxy-fluoro-diphenylsilane?
The canonical SMILES for [ditert-butyl-[fluoro(diphenyl)silyl]oxystannyl]oxy-fluoro-diphenylsilane is CC(C)(C)[Sn](O[Si](F)(c1ccccc1)c1ccccc1)(O[Si](F)(c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of [ditert-butyl-[fluoro(diphenyl)silyl]oxystannyl]oxy-fluoro-diphenylsilane?
The InChIKey is DYIBJNQQUUJDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10FOSi.2C4H9.Sn/c2*13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-4(2)3;/h2*1-10H;2*1-3H3;/q2*-1;;;+2.
What are the key properties of [ditert-butyl-[fluoro(diphenyl)silyl]oxystannyl]oxy-fluoro-diphenylsilane?
[ditert-butyl-[fluoro(diphenyl)silyl]oxystannyl]oxy-fluoro-diphenylsilane has a molecular weight of 667.53 g/mol, XLogP of 6.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ditert-butyl-[fluoro(diphenyl)silyl]oxystannyl]oxy-fluoro-diphenylsilane is sourced from PubChem (CID 16709477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).