diethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane

C17H21FOSi — CID 90170463

IUPACdiethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane
SMILESCC[Si](CC)(OC)c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C17H21FOSi/c1-4-20(5-2,19-3)17-11-9-14(10-12-17)15-7-6-8-16(18)13-15/h6-13H,4-5H2,1-3H3
InChIKeyCACAIQRGRGDFSC-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.33
Rot. Bonds5

About diethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane

diethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane (PubChem CID 90170463) has the molecular formula C17H21FOSi and a molecular weight of 288.44 g/mol. Its IUPAC name is diethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane.

Molecular Properties

Compound Namediethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane
PubChem CID90170463
Molecular FormulaC17H21FOSi
Molecular Weight288.44 g/mol
Exact Mass288.13
IUPAC Namediethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane
SMILESCC[Si](CC)(OC)c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C17H21FOSi/c1-4-20(5-2,19-3)17-11-9-14(10-12-17)15-7-6-8-16(18)13-15/h6-13H,4-5H2,1-3H3
InChIKeyCACAIQRGRGDFSC-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze diethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane?
The IUPAC name of diethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane (CID 90170463) is diethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane.
What is the SMILES notation for diethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane?
The canonical SMILES for diethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane is CC[Si](CC)(OC)c1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of diethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane?
The InChIKey is CACAIQRGRGDFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FOSi/c1-4-20(5-2,19-3)17-11-9-14(10-12-17)15-7-6-8-16(18)13-15/h6-13H,4-5H2,1-3H3.
What are the key properties of diethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane?
diethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane has a molecular weight of 288.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane is sourced from PubChem (CID 90170463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).