[2-fluoro-3-(trifluoromethyl)phenoxy]-(2-methylpropoxy)-diphenylsilane

C23H22F4O2Si — CID 91717505

IUPAC[2-fluoro-3-(trifluoromethyl)phenoxy]-(2-methylpropoxy)-diphenylsilane
SMILESCC(C)CO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22F4O2Si/c1-17(2)16-28-30(18-10-5-3-6-11-18,19-12-7-4-8-13-19)29-21-15-9-14-20(22(21)24)23(25,26)27/h3-15,17H,16H2,1-2H3
InChIKeyFOVCUXZPIZAAKC-UHFFFAOYSA-N
MW434.51 g/mol
LogP5.15
Rot. Bonds7

About [2-fluoro-3-(trifluoromethyl)phenoxy]-(2-methylpropoxy)-diphenylsilane

[2-fluoro-3-(trifluoromethyl)phenoxy]-(2-methylpropoxy)-diphenylsilane (PubChem CID 91717505) has the molecular formula C23H22F4O2Si and a molecular weight of 434.51 g/mol. Its IUPAC name is [2-fluoro-3-(trifluoromethyl)phenoxy]-(2-methylpropoxy)-diphenylsilane.

Molecular Properties

Compound Name[2-fluoro-3-(trifluoromethyl)phenoxy]-(2-methylpropoxy)-diphenylsilane
PubChem CID91717505
Molecular FormulaC23H22F4O2Si
Molecular Weight434.51 g/mol
Exact Mass434.13
IUPAC Name[2-fluoro-3-(trifluoromethyl)phenoxy]-(2-methylpropoxy)-diphenylsilane
SMILESCC(C)CO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22F4O2Si/c1-17(2)16-28-30(18-10-5-3-6-11-18,19-12-7-4-8-13-19)29-21-15-9-14-20(22(21)24)23(25,26)27/h3-15,17H,16H2,1-2H3
InChIKeyFOVCUXZPIZAAKC-UHFFFAOYSA-N
XLogP5.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 55.15
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 [2-fluoro-3-(trifluoromethyl)phenoxy]-(2-methylpropoxy)-diphenylsilane?
The IUPAC name of [2-fluoro-3-(trifluoromethyl)phenoxy]-(2-methylpropoxy)-diphenylsilane (CID 91717505) is [2-fluoro-3-(trifluoromethyl)phenoxy]-(2-methylpropoxy)-diphenylsilane.
What is the SMILES notation for [2-fluoro-3-(trifluoromethyl)phenoxy]-(2-methylpropoxy)-diphenylsilane?
The canonical SMILES for [2-fluoro-3-(trifluoromethyl)phenoxy]-(2-methylpropoxy)-diphenylsilane is CC(C)CO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-fluoro-3-(trifluoromethyl)phenoxy]-(2-methylpropoxy)-diphenylsilane?
The InChIKey is FOVCUXZPIZAAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4O2Si/c1-17(2)16-28-30(18-10-5-3-6-11-18,19-12-7-4-8-13-19)29-21-15-9-14-20(22(21)24)23(25,26)27/h3-15,17H,16H2,1-2H3.
What are the key properties of [2-fluoro-3-(trifluoromethyl)phenoxy]-(2-methylpropoxy)-diphenylsilane?
[2-fluoro-3-(trifluoromethyl)phenoxy]-(2-methylpropoxy)-diphenylsilane has a molecular weight of 434.51 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(trifluoromethyl)phenoxy]-(2-methylpropoxy)-diphenylsilane is sourced from PubChem (CID 91717505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).