[diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silyl]oxy-diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silane

C40H32F6OSi2 — CID 87903597

IUPAC[diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silyl]oxy-diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silane
SMILESFC(F)(F)Cc1ccccc1[Si](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1CC(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H32F6OSi2/c41-39(42,43)29-31-17-13-15-27-37(31)48(33-19-5-1-6-20-33,34-21-7-2-8-22-34)47-49(35-23-9-3-10-24-35,36-25-11-4-12-26-36)38-28-16-14-18-32(38)30-40(44,45)46/h1-28H,29-30H2
InChIKeyRONYKPACEYLHHL-UHFFFAOYSA-N
MW698.86 g/mol
LogP6.55
Rot. Bonds10

About [diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silyl]oxy-diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silane

[diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silyl]oxy-diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silane (PubChem CID 87903597) has the molecular formula C40H32F6OSi2 and a molecular weight of 698.86 g/mol. Its IUPAC name is [diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silyl]oxy-diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silane.

Molecular Properties

Compound Name[diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silyl]oxy-diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silane
PubChem CID87903597
Molecular FormulaC40H32F6OSi2
Molecular Weight698.86 g/mol
Exact Mass698.19
IUPAC Name[diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silyl]oxy-diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silane
SMILESFC(F)(F)Cc1ccccc1[Si](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1CC(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H32F6OSi2/c41-39(42,43)29-31-17-13-15-27-37(31)48(33-19-5-1-6-20-33,34-21-7-2-8-22-34)47-49(35-23-9-3-10-24-35,36-25-11-4-12-26-36)38-28-16-14-18-32(38)30-40(44,45)46/h1-28H,29-30H2
InChIKeyRONYKPACEYLHHL-UHFFFAOYSA-N
XLogP6.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.86
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silyl]oxy-diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silane?
The IUPAC name of [diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silyl]oxy-diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silane (CID 87903597) is [diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silyl]oxy-diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silane.
What is the SMILES notation for [diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silyl]oxy-diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silane?
The canonical SMILES for [diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silyl]oxy-diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silane is FC(F)(F)Cc1ccccc1[Si](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1CC(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silyl]oxy-diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silane?
The InChIKey is RONYKPACEYLHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32F6OSi2/c41-39(42,43)29-31-17-13-15-27-37(31)48(33-19-5-1-6-20-33,34-21-7-2-8-22-34)47-49(35-23-9-3-10-24-35,36-25-11-4-12-26-36)38-28-16-14-18-32(38)30-40(44,45)46/h1-28H,29-30H2.
What are the key properties of [diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silyl]oxy-diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silane?
[diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silyl]oxy-diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silane has a molecular weight of 698.86 g/mol, XLogP of 6.55, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silyl]oxy-diphenyl-[2-(2,2,2-trifluoroethyl)phenyl]silane is sourced from PubChem (CID 87903597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).