ethenyl-ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane

C12H13F5O2Si — CID 87972914

IUPACethenyl-ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane
SMILESC=C[Si](OCC)(OC(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H13F5O2Si/c1-3-18-20(4-2,10-8-6-5-7-9-10)19-12(16,17)11(13,14)15/h4-9H,2-3H2,1H3
InChIKeyUATDYBPZDSJZFY-UHFFFAOYSA-N
MW312.31 g/mol
LogP3.27
Rot. Bonds6

About ethenyl-ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane

ethenyl-ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane (PubChem CID 87972914) has the molecular formula C12H13F5O2Si and a molecular weight of 312.31 g/mol. Its IUPAC name is ethenyl-ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane.

Molecular Properties

Compound Nameethenyl-ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane
PubChem CID87972914
Molecular FormulaC12H13F5O2Si
Molecular Weight312.31 g/mol
Exact Mass312.06
IUPAC Nameethenyl-ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane
SMILESC=C[Si](OCC)(OC(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H13F5O2Si/c1-3-18-20(4-2,10-8-6-5-7-9-10)19-12(16,17)11(13,14)15/h4-9H,2-3H2,1H3
InChIKeyUATDYBPZDSJZFY-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl-ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane?
The IUPAC name of ethenyl-ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane (CID 87972914) is ethenyl-ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane.
What is the SMILES notation for ethenyl-ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane?
The canonical SMILES for ethenyl-ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane is C=C[Si](OCC)(OC(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of ethenyl-ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane?
The InChIKey is UATDYBPZDSJZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5O2Si/c1-3-18-20(4-2,10-8-6-5-7-9-10)19-12(16,17)11(13,14)15/h4-9H,2-3H2,1H3.
What are the key properties of ethenyl-ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane?
ethenyl-ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane has a molecular weight of 312.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane is sourced from PubChem (CID 87972914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).