About butan-2-yloxy(trifluoro)silane
butan-2-yloxy(trifluoro)silane (PubChem CID 139698308) has the molecular formula C4H9F3OSi
and a molecular weight of 158.19 g/mol. Its IUPAC name is butan-2-yloxy(trifluoro)silane.
Molecular Properties
| Compound Name | butan-2-yloxy(trifluoro)silane |
| PubChem CID | 139698308 |
| Molecular Formula | C4H9F3OSi |
| Molecular Weight | 158.19 g/mol |
| Exact Mass | 158.04 |
| IUPAC Name | butan-2-yloxy(trifluoro)silane |
| SMILES | CCC(C)O[Si](F)(F)F |
| InChI | InChI=1S/C4H9F3OSi/c1-3-4(2)8-9(5,6)7/h4H,3H2,1-2H3 |
| InChIKey | GYQYAZJHEZIMBT-UHFFFAOYSA-N |
| XLogP | 2.15 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 9 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 158.19 |
| LogP ≤ 5 | 2.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of butan-2-yloxy(trifluoro)silane?
The IUPAC name of butan-2-yloxy(trifluoro)silane (CID 139698308) is butan-2-yloxy(trifluoro)silane.
What is the SMILES notation for butan-2-yloxy(trifluoro)silane?
The canonical SMILES for butan-2-yloxy(trifluoro)silane is CCC(C)O[Si](F)(F)F.
What is the InChIKey of butan-2-yloxy(trifluoro)silane?
The InChIKey is GYQYAZJHEZIMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3OSi/c1-3-4(2)8-9(5,6)7/h4H,3H2,1-2H3.
What are the key properties of butan-2-yloxy(trifluoro)silane?
butan-2-yloxy(trifluoro)silane has a molecular weight of 158.19 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy(trifluoro)silane is sourced from PubChem (CID 139698308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).