2,2,2-trifluoro-1-triethylsilylethanone

C8H15F3OSi — CID 21187452

IUPAC2,2,2-trifluoro-1-triethylsilylethanone
SMILESCC[Si](CC)(CC)C(=O)C(F)(F)F
InChIInChI=1S/C8H15F3OSi/c1-4-13(5-2,6-3)7(12)8(9,10)11/h4-6H2,1-3H3
InChIKeyRGQMJMUNADVCHW-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.17
Rot. Bonds4

About 2,2,2-trifluoro-1-triethylsilylethanone

2,2,2-trifluoro-1-triethylsilylethanone (PubChem CID 21187452) has the molecular formula C8H15F3OSi and a molecular weight of 212.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-triethylsilylethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-triethylsilylethanone
PubChem CID21187452
Molecular FormulaC8H15F3OSi
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name2,2,2-trifluoro-1-triethylsilylethanone
SMILESCC[Si](CC)(CC)C(=O)C(F)(F)F
InChIInChI=1S/C8H15F3OSi/c1-4-13(5-2,6-3)7(12)8(9,10)11/h4-6H2,1-3H3
InChIKeyRGQMJMUNADVCHW-UHFFFAOYSA-N
XLogP3.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2,2-trifluoro-1-triethylsilylethanone?
The IUPAC name of 2,2,2-trifluoro-1-triethylsilylethanone (CID 21187452) is 2,2,2-trifluoro-1-triethylsilylethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-triethylsilylethanone?
The canonical SMILES for 2,2,2-trifluoro-1-triethylsilylethanone is CC[Si](CC)(CC)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-triethylsilylethanone?
The InChIKey is RGQMJMUNADVCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3OSi/c1-4-13(5-2,6-3)7(12)8(9,10)11/h4-6H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-1-triethylsilylethanone?
2,2,2-trifluoro-1-triethylsilylethanone has a molecular weight of 212.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-triethylsilylethanone is sourced from PubChem (CID 21187452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).