5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione

C8H13FO2Si — CID 555665

IUPAC5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione
SMILESC[Si](C)(F)C1CC(=O)CC(=O)C1
InChIInChI=1S/C8H13FO2Si/c1-12(2,9)8-4-6(10)3-7(11)5-8/h8H,3-5H2,1-2H3
InChIKeyULWYTCFRSNWMDV-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.85
Rot. Bonds1

About 5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione

5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione (PubChem CID 555665) has the molecular formula C8H13FO2Si and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione.

Molecular Properties

Compound Name5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione
PubChem CID555665
Molecular FormulaC8H13FO2Si
Molecular Weight188.27 g/mol
Exact Mass188.07
IUPAC Name5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione
SMILESC[Si](C)(F)C1CC(=O)CC(=O)C1
InChIInChI=1S/C8H13FO2Si/c1-12(2,9)8-4-6(10)3-7(11)5-8/h8H,3-5H2,1-2H3
InChIKeyULWYTCFRSNWMDV-UHFFFAOYSA-N
XLogP1.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

1-Trimethylsilylhexane-1,5-dione
CID 10397556
Trimethylsilyl cyclohexanone ether
CID 129813558
5-(Trimethylsilyl)cyclohexane-1,3-dione
CID 71393140

Frequently Asked Questions

What is the IUPAC name of 5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione?
The IUPAC name of 5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione (CID 555665) is 5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione.
What is the SMILES notation for 5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione?
The canonical SMILES for 5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione is C[Si](C)(F)C1CC(=O)CC(=O)C1.
What is the InChIKey of 5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione?
The InChIKey is ULWYTCFRSNWMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2Si/c1-12(2,9)8-4-6(10)3-7(11)5-8/h8H,3-5H2,1-2H3.
What are the key properties of 5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione?
5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione has a molecular weight of 188.27 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro(dimethyl)silyl]cyclohexane-1,3-dione is sourced from PubChem (CID 555665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).