1-[diethyl-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone

C8H10F6O2Si — CID 89427569

IUPAC1-[diethyl-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone
SMILESCC[Si](CC)(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C8H10F6O2Si/c1-3-17(4-2,5(15)7(9,10)11)6(16)8(12,13)14/h3-4H2,1-2H3
InChIKeyJJAFSGRYAKWIEV-UHFFFAOYSA-N
MW280.24 g/mol
LogP2.82
Rot. Bonds4

About 1-[diethyl-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone

1-[diethyl-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone (PubChem CID 89427569) has the molecular formula C8H10F6O2Si and a molecular weight of 280.24 g/mol. Its IUPAC name is 1-[diethyl-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[diethyl-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone
PubChem CID89427569
Molecular FormulaC8H10F6O2Si
Molecular Weight280.24 g/mol
Exact Mass280.04
IUPAC Name1-[diethyl-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone
SMILESCC[Si](CC)(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C8H10F6O2Si/c1-3-17(4-2,5(15)7(9,10)11)6(16)8(12,13)14/h3-4H2,1-2H3
InChIKeyJJAFSGRYAKWIEV-UHFFFAOYSA-N
XLogP2.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[diethyl-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[diethyl-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone (CID 89427569) is 1-[diethyl-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[diethyl-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[diethyl-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone is CC[Si](CC)(C(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of 1-[diethyl-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone?
The InChIKey is JJAFSGRYAKWIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O2Si/c1-3-17(4-2,5(15)7(9,10)11)6(16)8(12,13)14/h3-4H2,1-2H3.
What are the key properties of 1-[diethyl-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone?
1-[diethyl-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone has a molecular weight of 280.24 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethyl-(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 89427569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).