triethoxy-(4-fluoro-3-methoxyphenyl)silane

C13H21FO4Si — CID 146005006

IUPACtriethoxy-(4-fluoro-3-methoxyphenyl)silane
SMILESCCO[Si](OCC)(OCC)c1ccc(F)c(OC)c1
InChIInChI=1S/C13H21FO4Si/c1-5-16-19(17-6-2,18-7-3)11-8-9-12(14)13(10-11)15-4/h8-10H,5-7H2,1-4H3
InChIKeyRVCBMUSWELMQBY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.09
Rot. Bonds8

About triethoxy-(4-fluoro-3-methoxyphenyl)silane

triethoxy-(4-fluoro-3-methoxyphenyl)silane (PubChem CID 146005006) has the molecular formula C13H21FO4Si and a molecular weight of 288.39 g/mol. Its IUPAC name is triethoxy-(4-fluoro-3-methoxyphenyl)silane.

Molecular Properties

Compound Nametriethoxy-(4-fluoro-3-methoxyphenyl)silane
PubChem CID146005006
Molecular FormulaC13H21FO4Si
Molecular Weight288.39 g/mol
Exact Mass288.12
IUPAC Nametriethoxy-(4-fluoro-3-methoxyphenyl)silane
SMILESCCO[Si](OCC)(OCC)c1ccc(F)c(OC)c1
InChIInChI=1S/C13H21FO4Si/c1-5-16-19(17-6-2,18-7-3)11-8-9-12(14)13(10-11)15-4/h8-10H,5-7H2,1-4H3
InChIKeyRVCBMUSWELMQBY-UHFFFAOYSA-N
XLogP2.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-fluoro-3-methoxyphenyl)silane?
The IUPAC name of triethoxy-(4-fluoro-3-methoxyphenyl)silane (CID 146005006) is triethoxy-(4-fluoro-3-methoxyphenyl)silane.
What is the SMILES notation for triethoxy-(4-fluoro-3-methoxyphenyl)silane?
The canonical SMILES for triethoxy-(4-fluoro-3-methoxyphenyl)silane is CCO[Si](OCC)(OCC)c1ccc(F)c(OC)c1.
What is the InChIKey of triethoxy-(4-fluoro-3-methoxyphenyl)silane?
The InChIKey is RVCBMUSWELMQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FO4Si/c1-5-16-19(17-6-2,18-7-3)11-8-9-12(14)13(10-11)15-4/h8-10H,5-7H2,1-4H3.
What are the key properties of triethoxy-(4-fluoro-3-methoxyphenyl)silane?
triethoxy-(4-fluoro-3-methoxyphenyl)silane has a molecular weight of 288.39 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-(4-fluoro-3-methoxyphenyl)silane is sourced from PubChem (CID 146005006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).