diethoxy-hydroxy-[3-(trifluoromethyl)phenyl]silane

C11H15F3O3Si — CID 90172525

IUPACdiethoxy-hydroxy-[3-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](O)(OCC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H15F3O3Si/c1-3-16-18(15,17-4-2)10-7-5-6-9(8-10)11(12,13)14/h5-8,15H,3-4H2,1-2H3
InChIKeyJYULHDOYDXDOAC-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.92
Rot. Bonds5

About diethoxy-hydroxy-[3-(trifluoromethyl)phenyl]silane

diethoxy-hydroxy-[3-(trifluoromethyl)phenyl]silane (PubChem CID 90172525) has the molecular formula C11H15F3O3Si and a molecular weight of 280.32 g/mol. Its IUPAC name is diethoxy-hydroxy-[3-(trifluoromethyl)phenyl]silane.

Molecular Properties

Compound Namediethoxy-hydroxy-[3-(trifluoromethyl)phenyl]silane
PubChem CID90172525
Molecular FormulaC11H15F3O3Si
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Namediethoxy-hydroxy-[3-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](O)(OCC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H15F3O3Si/c1-3-16-18(15,17-4-2)10-7-5-6-9(8-10)11(12,13)14/h5-8,15H,3-4H2,1-2H3
InChIKeyJYULHDOYDXDOAC-UHFFFAOYSA-N
XLogP1.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 diethoxy-hydroxy-[3-(trifluoromethyl)phenyl]silane?
The IUPAC name of diethoxy-hydroxy-[3-(trifluoromethyl)phenyl]silane (CID 90172525) is diethoxy-hydroxy-[3-(trifluoromethyl)phenyl]silane.
What is the SMILES notation for diethoxy-hydroxy-[3-(trifluoromethyl)phenyl]silane?
The canonical SMILES for diethoxy-hydroxy-[3-(trifluoromethyl)phenyl]silane is CCO[Si](O)(OCC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of diethoxy-hydroxy-[3-(trifluoromethyl)phenyl]silane?
The InChIKey is JYULHDOYDXDOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O3Si/c1-3-16-18(15,17-4-2)10-7-5-6-9(8-10)11(12,13)14/h5-8,15H,3-4H2,1-2H3.
What are the key properties of diethoxy-hydroxy-[3-(trifluoromethyl)phenyl]silane?
diethoxy-hydroxy-[3-(trifluoromethyl)phenyl]silane has a molecular weight of 280.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-hydroxy-[3-(trifluoromethyl)phenyl]silane is sourced from PubChem (CID 90172525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).