3-[3-[fluoro(dimethyl)silyl]propyl]oxolane-2,5-dione

C9H15FO3Si — CID 23116721

IUPAC3-[3-[fluoro(dimethyl)silyl]propyl]oxolane-2,5-dione
SMILESC[Si](C)(F)CCCC1CC(=O)OC1=O
InChIInChI=1S/C9H15FO3Si/c1-14(2,10)5-3-4-7-6-8(11)13-9(7)12/h7H,3-6H2,1-2H3
InChIKeyQBRWXOBGDWLKPA-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.03
Rot. Bonds4

About 3-[3-[fluoro(dimethyl)silyl]propyl]oxolane-2,5-dione

3-[3-[fluoro(dimethyl)silyl]propyl]oxolane-2,5-dione (PubChem CID 23116721) has the molecular formula C9H15FO3Si and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[3-[fluoro(dimethyl)silyl]propyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[3-[fluoro(dimethyl)silyl]propyl]oxolane-2,5-dione
PubChem CID23116721
Molecular FormulaC9H15FO3Si
Molecular Weight218.30 g/mol
Exact Mass218.08
IUPAC Name3-[3-[fluoro(dimethyl)silyl]propyl]oxolane-2,5-dione
SMILESC[Si](C)(F)CCCC1CC(=O)OC1=O
InChIInChI=1S/C9H15FO3Si/c1-14(2,10)5-3-4-7-6-8(11)13-9(7)12/h7H,3-6H2,1-2H3
InChIKeyQBRWXOBGDWLKPA-UHFFFAOYSA-N
XLogP2.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 3-[3-[fluoro(dimethyl)silyl]propyl]oxolane-2,5-dione?
The IUPAC name of 3-[3-[fluoro(dimethyl)silyl]propyl]oxolane-2,5-dione (CID 23116721) is 3-[3-[fluoro(dimethyl)silyl]propyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[3-[fluoro(dimethyl)silyl]propyl]oxolane-2,5-dione?
The canonical SMILES for 3-[3-[fluoro(dimethyl)silyl]propyl]oxolane-2,5-dione is C[Si](C)(F)CCCC1CC(=O)OC1=O.
What is the InChIKey of 3-[3-[fluoro(dimethyl)silyl]propyl]oxolane-2,5-dione?
The InChIKey is QBRWXOBGDWLKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO3Si/c1-14(2,10)5-3-4-7-6-8(11)13-9(7)12/h7H,3-6H2,1-2H3.
What are the key properties of 3-[3-[fluoro(dimethyl)silyl]propyl]oxolane-2,5-dione?
3-[3-[fluoro(dimethyl)silyl]propyl]oxolane-2,5-dione has a molecular weight of 218.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[fluoro(dimethyl)silyl]propyl]oxolane-2,5-dione is sourced from PubChem (CID 23116721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).