bis(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane

C20H16F12O2Si — CID 91718376

IUPACbis(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane
SMILESFC(C(F)(F)F)C(F)(F)CO[Si](OCC(F)(F)C(F)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16F12O2Si/c21-15(19(27,28)29)17(23,24)11-33-35(13-7-3-1-4-8-13,14-9-5-2-6-10-14)34-12-18(25,26)16(22)20(30,31)32/h1-10,15-16H,11-12H2
InChIKeyFVLWAUICBHAREZ-UHFFFAOYSA-N
MW544.41 g/mol
LogP5.35
Rot. Bonds10

About bis(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane

bis(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane (PubChem CID 91718376) has the molecular formula C20H16F12O2Si and a molecular weight of 544.41 g/mol. Its IUPAC name is bis(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane.

Molecular Properties

Compound Namebis(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane
PubChem CID91718376
Molecular FormulaC20H16F12O2Si
Molecular Weight544.41 g/mol
Exact Mass544.07
IUPAC Namebis(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane
SMILESFC(C(F)(F)F)C(F)(F)CO[Si](OCC(F)(F)C(F)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16F12O2Si/c21-15(19(27,28)29)17(23,24)11-33-35(13-7-3-1-4-8-13,14-9-5-2-6-10-14)34-12-18(25,26)16(22)20(30,31)32/h1-10,15-16H,11-12H2
InChIKeyFVLWAUICBHAREZ-UHFFFAOYSA-N
XLogP5.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.41
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane?
The IUPAC name of bis(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane (CID 91718376) is bis(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane.
What is the SMILES notation for bis(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane?
The canonical SMILES for bis(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane is FC(C(F)(F)F)C(F)(F)CO[Si](OCC(F)(F)C(F)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane?
The InChIKey is FVLWAUICBHAREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F12O2Si/c21-15(19(27,28)29)17(23,24)11-33-35(13-7-3-1-4-8-13,14-9-5-2-6-10-14)34-12-18(25,26)16(22)20(30,31)32/h1-10,15-16H,11-12H2.
What are the key properties of bis(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane?
bis(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane has a molecular weight of 544.41 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane is sourced from PubChem (CID 91718376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).