[2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane

C21H26F2O3Si — CID 175061850

IUPAC[2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane
SMILESFC(F)(CCOC1CCCCO1)CO[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26F2O3Si/c22-21(23,14-16-25-20-13-7-8-15-24-20)17-26-27(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20,27H,7-8,13-17H2
InChIKeyGHGZJDCNVNAVAL-UHFFFAOYSA-N
MW392.52 g/mol
LogP3.11
Rot. Bonds9

About [2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane

[2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane (PubChem CID 175061850) has the molecular formula C21H26F2O3Si and a molecular weight of 392.52 g/mol. Its IUPAC name is [2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane.

Molecular Properties

Compound Name[2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane
PubChem CID175061850
Molecular FormulaC21H26F2O3Si
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name[2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane
SMILESFC(F)(CCOC1CCCCO1)CO[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26F2O3Si/c22-21(23,14-16-25-20-13-7-8-15-24-20)17-26-27(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20,27H,7-8,13-17H2
InChIKeyGHGZJDCNVNAVAL-UHFFFAOYSA-N
XLogP3.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 53.11
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 [2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane?
The IUPAC name of [2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane (CID 175061850) is [2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane.
What is the SMILES notation for [2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane?
The canonical SMILES for [2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane is FC(F)(CCOC1CCCCO1)CO[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of [2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane?
The InChIKey is GHGZJDCNVNAVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2O3Si/c22-21(23,14-16-25-20-13-7-8-15-24-20)17-26-27(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20,27H,7-8,13-17H2.
What are the key properties of [2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane?
[2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane has a molecular weight of 392.52 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane is sourced from PubChem (CID 175061850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).