[ethoxy(1,1,2,2,2-pentafluoroethoxy)methoxy]-phenylsilane

C11H13F5O3Si — CID 154436256

IUPAC[ethoxy(1,1,2,2,2-pentafluoroethoxy)methoxy]-phenylsilane
SMILESCCOC(O[SiH2]c1ccccc1)OC(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F5O3Si/c1-2-17-9(18-11(15,16)10(12,13)14)19-20-8-6-4-3-5-7-8/h3-7,9H,2,20H2,1H3
InChIKeyMABAKSOGDCNULD-UHFFFAOYSA-N
MW316.30 g/mol
LogP1.90
Rot. Bonds7

About [ethoxy(1,1,2,2,2-pentafluoroethoxy)methoxy]-phenylsilane

[ethoxy(1,1,2,2,2-pentafluoroethoxy)methoxy]-phenylsilane (PubChem CID 154436256) has the molecular formula C11H13F5O3Si and a molecular weight of 316.30 g/mol. Its IUPAC name is [ethoxy(1,1,2,2,2-pentafluoroethoxy)methoxy]-phenylsilane.

Molecular Properties

Compound Name[ethoxy(1,1,2,2,2-pentafluoroethoxy)methoxy]-phenylsilane
PubChem CID154436256
Molecular FormulaC11H13F5O3Si
Molecular Weight316.30 g/mol
Exact Mass316.06
IUPAC Name[ethoxy(1,1,2,2,2-pentafluoroethoxy)methoxy]-phenylsilane
SMILESCCOC(O[SiH2]c1ccccc1)OC(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F5O3Si/c1-2-17-9(18-11(15,16)10(12,13)14)19-20-8-6-4-3-5-7-8/h3-7,9H,2,20H2,1H3
InChIKeyMABAKSOGDCNULD-UHFFFAOYSA-N
XLogP1.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [ethoxy(1,1,2,2,2-pentafluoroethoxy)methoxy]-phenylsilane?
The IUPAC name of [ethoxy(1,1,2,2,2-pentafluoroethoxy)methoxy]-phenylsilane (CID 154436256) is [ethoxy(1,1,2,2,2-pentafluoroethoxy)methoxy]-phenylsilane.
What is the SMILES notation for [ethoxy(1,1,2,2,2-pentafluoroethoxy)methoxy]-phenylsilane?
The canonical SMILES for [ethoxy(1,1,2,2,2-pentafluoroethoxy)methoxy]-phenylsilane is CCOC(O[SiH2]c1ccccc1)OC(F)(F)C(F)(F)F.
What is the InChIKey of [ethoxy(1,1,2,2,2-pentafluoroethoxy)methoxy]-phenylsilane?
The InChIKey is MABAKSOGDCNULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5O3Si/c1-2-17-9(18-11(15,16)10(12,13)14)19-20-8-6-4-3-5-7-8/h3-7,9H,2,20H2,1H3.
What are the key properties of [ethoxy(1,1,2,2,2-pentafluoroethoxy)methoxy]-phenylsilane?
[ethoxy(1,1,2,2,2-pentafluoroethoxy)methoxy]-phenylsilane has a molecular weight of 316.30 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(1,1,2,2,2-pentafluoroethoxy)methoxy]-phenylsilane is sourced from PubChem (CID 154436256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).