triethoxy-[2-(4-fluorophenyl)ethyl]silane

C14H23FO3Si — CID 46872320

IUPACtriethoxy-[2-(4-fluorophenyl)ethyl]silane
SMILESCCO[Si](CCc1ccc(F)cc1)(OCC)OCC
InChIInChI=1S/C14H23FO3Si/c1-4-16-19(17-5-2,18-6-3)12-11-13-7-9-14(15)10-8-13/h7-10H,4-6,11-12H2,1-3H3
InChIKeyGNSMGYWKIYTSRE-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.42
Rot. Bonds9

About triethoxy-[2-(4-fluorophenyl)ethyl]silane

triethoxy-[2-(4-fluorophenyl)ethyl]silane (PubChem CID 46872320) has the molecular formula C14H23FO3Si and a molecular weight of 286.42 g/mol. Its IUPAC name is triethoxy-[2-(4-fluorophenyl)ethyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-(4-fluorophenyl)ethyl]silane
PubChem CID46872320
Molecular FormulaC14H23FO3Si
Molecular Weight286.42 g/mol
Exact Mass286.14
IUPAC Nametriethoxy-[2-(4-fluorophenyl)ethyl]silane
SMILESCCO[Si](CCc1ccc(F)cc1)(OCC)OCC
InChIInChI=1S/C14H23FO3Si/c1-4-16-19(17-5-2,18-6-3)12-11-13-7-9-14(15)10-8-13/h7-10H,4-6,11-12H2,1-3H3
InChIKeyGNSMGYWKIYTSRE-UHFFFAOYSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.42
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-(4-fluorophenyl)ethyl]silane?
The IUPAC name of triethoxy-[2-(4-fluorophenyl)ethyl]silane (CID 46872320) is triethoxy-[2-(4-fluorophenyl)ethyl]silane.
What is the SMILES notation for triethoxy-[2-(4-fluorophenyl)ethyl]silane?
The canonical SMILES for triethoxy-[2-(4-fluorophenyl)ethyl]silane is CCO[Si](CCc1ccc(F)cc1)(OCC)OCC.
What is the InChIKey of triethoxy-[2-(4-fluorophenyl)ethyl]silane?
The InChIKey is GNSMGYWKIYTSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FO3Si/c1-4-16-19(17-5-2,18-6-3)12-11-13-7-9-14(15)10-8-13/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of triethoxy-[2-(4-fluorophenyl)ethyl]silane?
triethoxy-[2-(4-fluorophenyl)ethyl]silane has a molecular weight of 286.42 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-(4-fluorophenyl)ethyl]silane is sourced from PubChem (CID 46872320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).