[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-diethylsilyl]oxy-diethylsilane

C28H42Br2F2OSi2 — CID 70057881

IUPAC[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-diethylsilyl]oxy-diethylsilane
SMILESCC[Si](CC)(O[Si](CC)(CC)C(C)(C)Cc1ccc(Br)c(F)c1)C(C)(C)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C28H42Br2F2OSi2/c1-9-34(10-2,27(5,6)19-21-13-15-23(29)25(31)17-21)33-35(11-3,12-4)28(7,8)20-22-14-16-24(30)26(32)18-22/h13-18H,9-12,19-20H2,1-8H3
InChIKeyXLBCBSPRZSMGSE-UHFFFAOYSA-N
MW648.62 g/mol
LogP10.82
Rot. Bonds12

About [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-diethylsilyl]oxy-diethylsilane

[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-diethylsilyl]oxy-diethylsilane (PubChem CID 70057881) has the molecular formula C28H42Br2F2OSi2 and a molecular weight of 648.62 g/mol. Its IUPAC name is [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-diethylsilyl]oxy-diethylsilane.

Molecular Properties

Compound Name[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-diethylsilyl]oxy-diethylsilane
PubChem CID70057881
Molecular FormulaC28H42Br2F2OSi2
Molecular Weight648.62 g/mol
Exact Mass646.11
IUPAC Name[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-diethylsilyl]oxy-diethylsilane
SMILESCC[Si](CC)(O[Si](CC)(CC)C(C)(C)Cc1ccc(Br)c(F)c1)C(C)(C)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C28H42Br2F2OSi2/c1-9-34(10-2,27(5,6)19-21-13-15-23(29)25(31)17-21)33-35(11-3,12-4)28(7,8)20-22-14-16-24(30)26(32)18-22/h13-18H,9-12,19-20H2,1-8H3
InChIKeyXLBCBSPRZSMGSE-UHFFFAOYSA-N
XLogP10.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.62
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-diethylsilyl]oxy-diethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-diethylsilyl]oxy-diethylsilane?
The IUPAC name of [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-diethylsilyl]oxy-diethylsilane (CID 70057881) is [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-diethylsilyl]oxy-diethylsilane.
What is the SMILES notation for [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-diethylsilyl]oxy-diethylsilane?
The canonical SMILES for [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-diethylsilyl]oxy-diethylsilane is CC[Si](CC)(O[Si](CC)(CC)C(C)(C)Cc1ccc(Br)c(F)c1)C(C)(C)Cc1ccc(Br)c(F)c1.
What is the InChIKey of [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-diethylsilyl]oxy-diethylsilane?
The InChIKey is XLBCBSPRZSMGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42Br2F2OSi2/c1-9-34(10-2,27(5,6)19-21-13-15-23(29)25(31)17-21)33-35(11-3,12-4)28(7,8)20-22-14-16-24(30)26(32)18-22/h13-18H,9-12,19-20H2,1-8H3.
What are the key properties of [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-diethylsilyl]oxy-diethylsilane?
[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-diethylsilyl]oxy-diethylsilane has a molecular weight of 648.62 g/mol, XLogP of 10.82, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-[[1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-yl]-diethylsilyl]oxy-diethylsilane is sourced from PubChem (CID 70057881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).