ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane

C13H15F5O2Si — CID 87972561

IUPACethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane
SMILESC=CC[Si](OCC)(OC(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H15F5O2Si/c1-3-10-21(19-4-2,11-8-6-5-7-9-11)20-13(17,18)12(14,15)16/h3,5-9H,1,4,10H2,2H3
InChIKeyIKRJMJHEOYAQNV-UHFFFAOYSA-N
MW326.34 g/mol
LogP3.73
Rot. Bonds7

About ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane

ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane (PubChem CID 87972561) has the molecular formula C13H15F5O2Si and a molecular weight of 326.34 g/mol. Its IUPAC name is ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane.

Molecular Properties

Compound Nameethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane
PubChem CID87972561
Molecular FormulaC13H15F5O2Si
Molecular Weight326.34 g/mol
Exact Mass326.08
IUPAC Nameethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane
SMILESC=CC[Si](OCC)(OC(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H15F5O2Si/c1-3-10-21(19-4-2,11-8-6-5-7-9-11)20-13(17,18)12(14,15)16/h3,5-9H,1,4,10H2,2H3
InChIKeyIKRJMJHEOYAQNV-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane?
The IUPAC name of ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane (CID 87972561) is ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane.
What is the SMILES notation for ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane?
The canonical SMILES for ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane is C=CC[Si](OCC)(OC(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane?
The InChIKey is IKRJMJHEOYAQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5O2Si/c1-3-10-21(19-4-2,11-8-6-5-7-9-11)20-13(17,18)12(14,15)16/h3,5-9H,1,4,10H2,2H3.
What are the key properties of ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane?
ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane has a molecular weight of 326.34 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-prop-2-enylsilane is sourced from PubChem (CID 87972561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).