About triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane
triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane (PubChem CID 12996059) has the molecular formula C15H21F3Si
and a molecular weight of 286.41 g/mol. Its IUPAC name is triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane.
Molecular Properties
| Compound Name | triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane |
| PubChem CID | 12996059 |
| Molecular Formula | C15H21F3Si |
| Molecular Weight | 286.41 g/mol |
| Exact Mass | 286.14 |
| IUPAC Name | triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane |
| SMILES | CC[Si](/C=C/c1ccc(C(F)(F)F)cc1)(CC)CC |
| InChI | InChI=1S/C15H21F3Si/c1-4-19(5-2,6-3)12-11-13-7-9-14(10-8-13)15(16,17)18/h7-12H,4-6H2,1-3H3/b12-11+ |
| InChIKey | ARWVYKKLZKQEKI-VAWYXSNFSA-N |
| XLogP | 5.77 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 5 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 286.41 |
| LogP ≤ 5 | 5.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane?
The IUPAC name of triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane (CID 12996059) is triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane.
What is the SMILES notation for triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane?
The canonical SMILES for triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane is CC[Si](/C=C/c1ccc(C(F)(F)F)cc1)(CC)CC.
What is the InChIKey of triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane?
The InChIKey is ARWVYKKLZKQEKI-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H21F3Si/c1-4-19(5-2,6-3)12-11-13-7-9-14(10-8-13)15(16,17)18/h7-12H,4-6H2,1-3H3/b12-11+.
What are the key properties of triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane?
triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane has a molecular weight of 286.41 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane is sourced from PubChem (CID 12996059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).