2,2-difluoro-1-triethylsilylethanone

C8H16F2OSi — CID 12033500

IUPAC2,2-difluoro-1-triethylsilylethanone
SMILESCC[Si](CC)(CC)C(=O)C(F)F
InChIInChI=1S/C8H16F2OSi/c1-4-12(5-2,6-3)8(11)7(9)10/h7H,4-6H2,1-3H3
InChIKeyXQMFZVULYFJEIP-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.87
Rot. Bonds5

About 2,2-difluoro-1-triethylsilylethanone

2,2-difluoro-1-triethylsilylethanone (PubChem CID 12033500) has the molecular formula C8H16F2OSi and a molecular weight of 194.30 g/mol. Its IUPAC name is 2,2-difluoro-1-triethylsilylethanone.

Molecular Properties

Compound Name2,2-difluoro-1-triethylsilylethanone
PubChem CID12033500
Molecular FormulaC8H16F2OSi
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2,2-difluoro-1-triethylsilylethanone
SMILESCC[Si](CC)(CC)C(=O)C(F)F
InChIInChI=1S/C8H16F2OSi/c1-4-12(5-2,6-3)8(11)7(9)10/h7H,4-6H2,1-3H3
InChIKeyXQMFZVULYFJEIP-UHFFFAOYSA-N
XLogP2.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-triethylsilylethanone
CID 14400427
1-triethylsilylprop-2-en-1-one
CID 15723080
ethyl 2-fluoro-2-triethylsilylacetate
CID 174297948
1,1-difluoropropan-2-one;propan-2-one
CID 157104644
1-triethylsilylpropan-2-one
CID 15033603
potassium;sodium;2-ethylpropanedioic acid;hydride
CID 174967911
[2,2-difluoroethyl(diethyl)silyl] acetate
CID 158106213
ethanol;fluoroform
CID 174919581
copper;2,2-difluoroacetic acid
CID 88507984
2,2-difluoroacetic acid;gallane
CID 173230413
2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide
CID 103513993
diethyl 2,3-difluorobutanedioate
CID 12868425

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-triethylsilylethanone?
The IUPAC name of 2,2-difluoro-1-triethylsilylethanone (CID 12033500) is 2,2-difluoro-1-triethylsilylethanone.
What is the SMILES notation for 2,2-difluoro-1-triethylsilylethanone?
The canonical SMILES for 2,2-difluoro-1-triethylsilylethanone is CC[Si](CC)(CC)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-1-triethylsilylethanone?
The InChIKey is XQMFZVULYFJEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2OSi/c1-4-12(5-2,6-3)8(11)7(9)10/h7H,4-6H2,1-3H3.
What are the key properties of 2,2-difluoro-1-triethylsilylethanone?
2,2-difluoro-1-triethylsilylethanone has a molecular weight of 194.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-triethylsilylethanone is sourced from PubChem (CID 12033500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).