benzyl-[(2-bromo-5-fluorophenyl)methoxy]-dimethylsilane

C16H18BrFOSi — CID 91739503

IUPACbenzyl-[(2-bromo-5-fluorophenyl)methoxy]-dimethylsilane
SMILESC[Si](C)(Cc1ccccc1)OCc1cc(F)ccc1Br
InChIInChI=1S/C16H18BrFOSi/c1-20(2,12-13-6-4-3-5-7-13)19-11-14-10-15(18)8-9-16(14)17/h3-10H,11-12H2,1-2H3
InChIKeyCPLNTMLOZMLMEZ-UHFFFAOYSA-N
MW353.31 g/mol
LogP5.09
Rot. Bonds5

About benzyl-[(2-bromo-5-fluorophenyl)methoxy]-dimethylsilane

benzyl-[(2-bromo-5-fluorophenyl)methoxy]-dimethylsilane (PubChem CID 91739503) has the molecular formula C16H18BrFOSi and a molecular weight of 353.31 g/mol. Its IUPAC name is benzyl-[(2-bromo-5-fluorophenyl)methoxy]-dimethylsilane.

Molecular Properties

Compound Namebenzyl-[(2-bromo-5-fluorophenyl)methoxy]-dimethylsilane
PubChem CID91739503
Molecular FormulaC16H18BrFOSi
Molecular Weight353.31 g/mol
Exact Mass352.03
IUPAC Namebenzyl-[(2-bromo-5-fluorophenyl)methoxy]-dimethylsilane
SMILESC[Si](C)(Cc1ccccc1)OCc1cc(F)ccc1Br
InChIInChI=1S/C16H18BrFOSi/c1-20(2,12-13-6-4-3-5-7-13)19-11-14-10-15(18)8-9-16(14)17/h3-10H,11-12H2,1-2H3
InChIKeyCPLNTMLOZMLMEZ-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.31
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 benzyl-[(2-bromo-5-fluorophenyl)methoxy]-dimethylsilane?
The IUPAC name of benzyl-[(2-bromo-5-fluorophenyl)methoxy]-dimethylsilane (CID 91739503) is benzyl-[(2-bromo-5-fluorophenyl)methoxy]-dimethylsilane.
What is the SMILES notation for benzyl-[(2-bromo-5-fluorophenyl)methoxy]-dimethylsilane?
The canonical SMILES for benzyl-[(2-bromo-5-fluorophenyl)methoxy]-dimethylsilane is C[Si](C)(Cc1ccccc1)OCc1cc(F)ccc1Br.
What is the InChIKey of benzyl-[(2-bromo-5-fluorophenyl)methoxy]-dimethylsilane?
The InChIKey is CPLNTMLOZMLMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFOSi/c1-20(2,12-13-6-4-3-5-7-13)19-11-14-10-15(18)8-9-16(14)17/h3-10H,11-12H2,1-2H3.
What are the key properties of benzyl-[(2-bromo-5-fluorophenyl)methoxy]-dimethylsilane?
benzyl-[(2-bromo-5-fluorophenyl)methoxy]-dimethylsilane has a molecular weight of 353.31 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2-bromo-5-fluorophenyl)methoxy]-dimethylsilane is sourced from PubChem (CID 91739503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).