1-[ethyl-bis(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone

C8H5F9O3Si — CID 89427513

IUPAC1-[ethyl-bis(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone
SMILESCC[Si](C(=O)C(F)(F)F)(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C8H5F9O3Si/c1-2-21(3(18)6(9,10)11,4(19)7(12,13)14)5(20)8(15,16)17/h2H2,1H3
InChIKeyDFMQYEIIULGOLC-UHFFFAOYSA-N
MW348.19 g/mol
LogP2.47
Rot. Bonds4

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

1-[ethyl-bis(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone (PubChem CID 89427513) has the molecular formula C8H5F9O3Si and a molecular weight of 348.19 g/mol. Its IUPAC name is 1-[ethyl-bis(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[ethyl-bis(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone
PubChem CID89427513
Molecular FormulaC8H5F9O3Si
Molecular Weight348.19 g/mol
Exact Mass347.99
IUPAC Name1-[ethyl-bis(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone
SMILESCC[Si](C(=O)C(F)(F)F)(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C8H5F9O3Si/c1-2-21(3(18)6(9,10)11,4(19)7(12,13)14)5(20)8(15,16)17/h2H2,1H3
InChIKeyDFMQYEIIULGOLC-UHFFFAOYSA-N
XLogP2.47
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[ethyl-bis(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone 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 1-[ethyl-bis(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[ethyl-bis(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone (CID 89427513) is 1-[ethyl-bis(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[ethyl-bis(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[ethyl-bis(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone is CC[Si](C(=O)C(F)(F)F)(C(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of 1-[ethyl-bis(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone?
The InChIKey is DFMQYEIIULGOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F9O3Si/c1-2-21(3(18)6(9,10)11,4(19)7(12,13)14)5(20)8(15,16)17/h2H2,1H3.
What are the key properties of 1-[ethyl-bis(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone?
1-[ethyl-bis(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone has a molecular weight of 348.19 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-bis(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 89427513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).