diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane

C12H15F5O3Si — CID 53432346

IUPACdiethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane
SMILESCCO[Si](OCC)(OC(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H15F5O3Si/c1-3-18-21(19-4-2,10-8-6-5-7-9-10)20-12(16,17)11(13,14)15/h5-9H,3-4H2,1-2H3
InChIKeyWKHHNUXTTZQGDL-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.08
Rot. Bonds7

About diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane

diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane (PubChem CID 53432346) has the molecular formula C12H15F5O3Si and a molecular weight of 330.33 g/mol. Its IUPAC name is diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane.

Molecular Properties

Compound Namediethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane
PubChem CID53432346
Molecular FormulaC12H15F5O3Si
Molecular Weight330.33 g/mol
Exact Mass330.07
IUPAC Namediethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane
SMILESCCO[Si](OCC)(OC(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H15F5O3Si/c1-3-18-21(19-4-2,10-8-6-5-7-9-10)20-12(16,17)11(13,14)15/h5-9H,3-4H2,1-2H3
InChIKeyWKHHNUXTTZQGDL-UHFFFAOYSA-N
XLogP3.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane;tris(1,1,2,2,2-pentafluoroethoxy)-(2,3,4,5,6-pentafluorophenyl)silane
CID 158411675
fluorosilane;triethoxy(phenyl)silane
CID 174494490
ethane;triethoxy(phenyl)silane
CID 174836592
ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane
CID 87972561
silane;triethoxy(phenyl)silane;hydrofluoride
CID 174494492
[diethoxy(phenyl)silyl]oxy-diethoxy-phenylsilane
CID 14533277
triethoxy-[4-(4-phenylphenyl)phenyl]silane
CID 59687607
boric acid;triethoxy(phenyl)silane
CID 174800585
dimethoxy(diphenyl)silane;triethoxy(phenyl)silane
CID 174286071
phenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane
CID 159737253
2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol
CID 153327930
(4-tert-butylphenyl)-triethoxysilane
CID 146004905

Frequently Asked Questions

What is the IUPAC name of diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane?
The IUPAC name of diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane (CID 53432346) is diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane.
What is the SMILES notation for diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane?
The canonical SMILES for diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane is CCO[Si](OCC)(OC(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane?
The InChIKey is WKHHNUXTTZQGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5O3Si/c1-3-18-21(19-4-2,10-8-6-5-7-9-10)20-12(16,17)11(13,14)15/h5-9H,3-4H2,1-2H3.
What are the key properties of diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane?
diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane has a molecular weight of 330.33 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane is sourced from PubChem (CID 53432346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).