triethoxy-[(2-fluorophenyl)methyl]silane

C13H21FO3Si — CID 146004998

IUPACtriethoxy-[(2-fluorophenyl)methyl]silane
SMILESCCO[Si](Cc1ccccc1F)(OCC)OCC
InChIInChI=1S/C13H21FO3Si/c1-4-15-18(16-5-2,17-6-3)11-12-9-7-8-10-13(12)14/h7-10H,4-6,11H2,1-3H3
InChIKeyWFKMIRROIUGUOL-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.96
Rot. Bonds8

About triethoxy-[(2-fluorophenyl)methyl]silane

triethoxy-[(2-fluorophenyl)methyl]silane (PubChem CID 146004998) has the molecular formula C13H21FO3Si and a molecular weight of 272.39 g/mol. Its IUPAC name is triethoxy-[(2-fluorophenyl)methyl]silane.

Molecular Properties

Compound Nametriethoxy-[(2-fluorophenyl)methyl]silane
PubChem CID146004998
Molecular FormulaC13H21FO3Si
Molecular Weight272.39 g/mol
Exact Mass272.12
IUPAC Nametriethoxy-[(2-fluorophenyl)methyl]silane
SMILESCCO[Si](Cc1ccccc1F)(OCC)OCC
InChIInChI=1S/C13H21FO3Si/c1-4-15-18(16-5-2,17-6-3)11-12-9-7-8-10-13(12)14/h7-10H,4-6,11H2,1-3H3
InChIKeyWFKMIRROIUGUOL-UHFFFAOYSA-N
XLogP2.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
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 triethoxy-[(2-fluorophenyl)methyl]silane?
The IUPAC name of triethoxy-[(2-fluorophenyl)methyl]silane (CID 146004998) is triethoxy-[(2-fluorophenyl)methyl]silane.
What is the SMILES notation for triethoxy-[(2-fluorophenyl)methyl]silane?
The canonical SMILES for triethoxy-[(2-fluorophenyl)methyl]silane is CCO[Si](Cc1ccccc1F)(OCC)OCC.
What is the InChIKey of triethoxy-[(2-fluorophenyl)methyl]silane?
The InChIKey is WFKMIRROIUGUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FO3Si/c1-4-15-18(16-5-2,17-6-3)11-12-9-7-8-10-13(12)14/h7-10H,4-6,11H2,1-3H3.
What are the key properties of triethoxy-[(2-fluorophenyl)methyl]silane?
triethoxy-[(2-fluorophenyl)methyl]silane has a molecular weight of 272.39 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[(2-fluorophenyl)methyl]silane is sourced from PubChem (CID 146004998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).