bis[(3-bromo-1,1,1-trifluoropropan-2-yl)oxy]-diphenylsilane

C18H16Br2F6O2Si — CID 91699655

IUPACbis[(3-bromo-1,1,1-trifluoropropan-2-yl)oxy]-diphenylsilane
SMILESFC(F)(F)C(CBr)O[Si](OC(CBr)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16Br2F6O2Si/c19-11-15(17(21,22)23)27-29(13-7-3-1-4-8-13,14-9-5-2-6-10-14)28-16(12-20)18(24,25)26/h1-10,15-16H,11-12H2
InChIKeySLDCQKYVVXSIEH-UHFFFAOYSA-N
MW566.21 g/mol
LogP4.93
Rot. Bonds8

About bis[(3-bromo-1,1,1-trifluoropropan-2-yl)oxy]-diphenylsilane

bis[(3-bromo-1,1,1-trifluoropropan-2-yl)oxy]-diphenylsilane (PubChem CID 91699655) has the molecular formula C18H16Br2F6O2Si and a molecular weight of 566.21 g/mol. Its IUPAC name is bis[(3-bromo-1,1,1-trifluoropropan-2-yl)oxy]-diphenylsilane.

Molecular Properties

Compound Namebis[(3-bromo-1,1,1-trifluoropropan-2-yl)oxy]-diphenylsilane
PubChem CID91699655
Molecular FormulaC18H16Br2F6O2Si
Molecular Weight566.21 g/mol
Exact Mass563.92
IUPAC Namebis[(3-bromo-1,1,1-trifluoropropan-2-yl)oxy]-diphenylsilane
SMILESFC(F)(F)C(CBr)O[Si](OC(CBr)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16Br2F6O2Si/c19-11-15(17(21,22)23)27-29(13-7-3-1-4-8-13,14-9-5-2-6-10-14)28-16(12-20)18(24,25)26/h1-10,15-16H,11-12H2
InChIKeySLDCQKYVVXSIEH-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.21
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-Bromopropoxy)(tert-butyl)diphenylsilane
CID 11245865
Silane, diphenylisohexyloxy(1,1,1-trifluoro-3-bromoprop-2-yloxy)-
CID 91698288
Silane, diphenylpentyloxy(1,1,1-trifluoro-3-bromoprop-2-yloxy)-
CID 91699427
Silane, diphenylheptyloxy(1,1,1-trifluoro-3-bromoprop-2-yloxy)-
CID 91699488
Silane, diphenylhexyloxy(1,1,1-trifluoro-3-bromoprop-2-yloxy)-
CID 91699829
Silane, diphenylundecyloxy(1,1,1-trifluoro-3-bromoprop-2-yloxy)-
CID 91699830
Silane, diphenylethoxy(1,1,1-trifluoroprop-2-yloxy)-
CID 91703876
Silane, diphenyldi(2-fluoroethoxy)-
CID 91703880
Silane, diphenylbutoxy(1,1,1-trifluoroprop-2-yloxy)-
CID 91717510
Silane, diphenyldi(1,1,1-trifluoroprop-2-yloxy)-
CID 91718002
Silane, diphenyldi(2,2,3,4,4,4-hexafluorobutoxy)-
CID 91718376
Silane, diphenyldi(2,2,3,3-tetrafluoropropoxy)-
CID 91718485

Frequently Asked Questions

What is the IUPAC name of bis[(3-bromo-1,1,1-trifluoropropan-2-yl)oxy]-diphenylsilane?
The IUPAC name of bis[(3-bromo-1,1,1-trifluoropropan-2-yl)oxy]-diphenylsilane (CID 91699655) is bis[(3-bromo-1,1,1-trifluoropropan-2-yl)oxy]-diphenylsilane.
What is the SMILES notation for bis[(3-bromo-1,1,1-trifluoropropan-2-yl)oxy]-diphenylsilane?
The canonical SMILES for bis[(3-bromo-1,1,1-trifluoropropan-2-yl)oxy]-diphenylsilane is FC(F)(F)C(CBr)O[Si](OC(CBr)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis[(3-bromo-1,1,1-trifluoropropan-2-yl)oxy]-diphenylsilane?
The InChIKey is SLDCQKYVVXSIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2F6O2Si/c19-11-15(17(21,22)23)27-29(13-7-3-1-4-8-13,14-9-5-2-6-10-14)28-16(12-20)18(24,25)26/h1-10,15-16H,11-12H2.
What are the key properties of bis[(3-bromo-1,1,1-trifluoropropan-2-yl)oxy]-diphenylsilane?
bis[(3-bromo-1,1,1-trifluoropropan-2-yl)oxy]-diphenylsilane has a molecular weight of 566.21 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(3-bromo-1,1,1-trifluoropropan-2-yl)oxy]-diphenylsilane is sourced from PubChem (CID 91699655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).