tert-butyl-(5-ethoxy-2-fluorophenoxy)-diphenylsilane

C24H27FO2Si — CID 141043345

IUPACtert-butyl-(5-ethoxy-2-fluorophenoxy)-diphenylsilane
SMILESCCOc1ccc(F)c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1
InChIInChI=1S/C24H27FO2Si/c1-5-26-19-16-17-22(25)23(18-19)27-28(24(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-18H,5H2,1-4H3
InChIKeySVBQJIDXKNCKCH-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.16
Rot. Bonds6

About tert-butyl-(5-ethoxy-2-fluorophenoxy)-diphenylsilane

tert-butyl-(5-ethoxy-2-fluorophenoxy)-diphenylsilane (PubChem CID 141043345) has the molecular formula C24H27FO2Si and a molecular weight of 394.56 g/mol. Its IUPAC name is tert-butyl-(5-ethoxy-2-fluorophenoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(5-ethoxy-2-fluorophenoxy)-diphenylsilane
PubChem CID141043345
Molecular FormulaC24H27FO2Si
Molecular Weight394.56 g/mol
Exact Mass394.18
IUPAC Nametert-butyl-(5-ethoxy-2-fluorophenoxy)-diphenylsilane
SMILESCCOc1ccc(F)c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1
InChIInChI=1S/C24H27FO2Si/c1-5-26-19-16-17-22(25)23(18-19)27-28(24(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-18H,5H2,1-4H3
InChIKeySVBQJIDXKNCKCH-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.16
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 tert-butyl-(5-ethoxy-2-fluorophenoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(5-ethoxy-2-fluorophenoxy)-diphenylsilane (CID 141043345) is tert-butyl-(5-ethoxy-2-fluorophenoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(5-ethoxy-2-fluorophenoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(5-ethoxy-2-fluorophenoxy)-diphenylsilane is CCOc1ccc(F)c(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1.
What is the InChIKey of tert-butyl-(5-ethoxy-2-fluorophenoxy)-diphenylsilane?
The InChIKey is SVBQJIDXKNCKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FO2Si/c1-5-26-19-16-17-22(25)23(18-19)27-28(24(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-18H,5H2,1-4H3.
What are the key properties of tert-butyl-(5-ethoxy-2-fluorophenoxy)-diphenylsilane?
tert-butyl-(5-ethoxy-2-fluorophenoxy)-diphenylsilane has a molecular weight of 394.56 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-ethoxy-2-fluorophenoxy)-diphenylsilane is sourced from PubChem (CID 141043345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).