1-[ditert-butyl(fluoro)silyl]ethanone

C10H21FOSi — CID 87707839

IUPAC1-[ditert-butyl(fluoro)silyl]ethanone
SMILESCC(=O)[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H21FOSi/c1-8(12)13(11,9(2,3)4)10(5,6)7/h1-7H3
InChIKeyKPAAWTZHGCAVJM-UHFFFAOYSA-N
MW204.36 g/mol
LogP3.63
Rot. Bonds1

About 1-[ditert-butyl(fluoro)silyl]ethanone

1-[ditert-butyl(fluoro)silyl]ethanone (PubChem CID 87707839) has the molecular formula C10H21FOSi and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-[ditert-butyl(fluoro)silyl]ethanone.

Molecular Properties

Compound Name1-[ditert-butyl(fluoro)silyl]ethanone
PubChem CID87707839
Molecular FormulaC10H21FOSi
Molecular Weight204.36 g/mol
Exact Mass204.13
IUPAC Name1-[ditert-butyl(fluoro)silyl]ethanone
SMILESCC(=O)[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H21FOSi/c1-8(12)13(11,9(2,3)4)10(5,6)7/h1-7H3
InChIKeyKPAAWTZHGCAVJM-UHFFFAOYSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-[ditert-butyl(fluoro)silyl]ethanone?
The IUPAC name of 1-[ditert-butyl(fluoro)silyl]ethanone (CID 87707839) is 1-[ditert-butyl(fluoro)silyl]ethanone.
What is the SMILES notation for 1-[ditert-butyl(fluoro)silyl]ethanone?
The canonical SMILES for 1-[ditert-butyl(fluoro)silyl]ethanone is CC(=O)[Si](F)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-[ditert-butyl(fluoro)silyl]ethanone?
The InChIKey is KPAAWTZHGCAVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FOSi/c1-8(12)13(11,9(2,3)4)10(5,6)7/h1-7H3.
What are the key properties of 1-[ditert-butyl(fluoro)silyl]ethanone?
1-[ditert-butyl(fluoro)silyl]ethanone has a molecular weight of 204.36 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ditert-butyl(fluoro)silyl]ethanone is sourced from PubChem (CID 87707839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).