2-fluoroethoxy-(4-methylpentoxy)-diphenylsilane

C20H27FO2Si — CID 91717509

IUPAC2-fluoroethoxy-(4-methylpentoxy)-diphenylsilane
SMILESCC(C)CCCO[Si](OCCF)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27FO2Si/c1-18(2)10-9-16-22-24(23-17-15-21,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18H,9-10,15-17H2,1-2H3
InChIKeyLEVWIRRYMGFXBP-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.68
Rot. Bonds10

About 2-fluoroethoxy-(4-methylpentoxy)-diphenylsilane

2-fluoroethoxy-(4-methylpentoxy)-diphenylsilane (PubChem CID 91717509) has the molecular formula C20H27FO2Si and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-fluoroethoxy-(4-methylpentoxy)-diphenylsilane.

Molecular Properties

Compound Name2-fluoroethoxy-(4-methylpentoxy)-diphenylsilane
PubChem CID91717509
Molecular FormulaC20H27FO2Si
Molecular Weight346.52 g/mol
Exact Mass346.18
IUPAC Name2-fluoroethoxy-(4-methylpentoxy)-diphenylsilane
SMILESCC(C)CCCO[Si](OCCF)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27FO2Si/c1-18(2)10-9-16-22-24(23-17-15-21,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18H,9-10,15-17H2,1-2H3
InChIKeyLEVWIRRYMGFXBP-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethoxy-(4-methylpentoxy)-diphenylsilane?
The IUPAC name of 2-fluoroethoxy-(4-methylpentoxy)-diphenylsilane (CID 91717509) is 2-fluoroethoxy-(4-methylpentoxy)-diphenylsilane.
What is the SMILES notation for 2-fluoroethoxy-(4-methylpentoxy)-diphenylsilane?
The canonical SMILES for 2-fluoroethoxy-(4-methylpentoxy)-diphenylsilane is CC(C)CCCO[Si](OCCF)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-fluoroethoxy-(4-methylpentoxy)-diphenylsilane?
The InChIKey is LEVWIRRYMGFXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FO2Si/c1-18(2)10-9-16-22-24(23-17-15-21,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18H,9-10,15-17H2,1-2H3.
What are the key properties of 2-fluoroethoxy-(4-methylpentoxy)-diphenylsilane?
2-fluoroethoxy-(4-methylpentoxy)-diphenylsilane has a molecular weight of 346.52 g/mol, XLogP of 3.68, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethoxy-(4-methylpentoxy)-diphenylsilane is sourced from PubChem (CID 91717509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).