[(2R)-3-(2-fluoro-1-trimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate

C10H18FNO4Si — CID 58333713

IUPAC[(2R)-3-(2-fluoro-1-trimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@H]1NC(=O)C1C(CF)O[Si](C)(C)C
InChIInChI=1S/C10H18FNO4Si/c1-6(13)15-10-8(9(14)12-10)7(5-11)16-17(2,3)4/h7-8,10H,5H2,1-4H3,(H,12,14)/t7?,8?,10-/m1/s1
InChIKeyWLVQNCVIESKWTO-SFVIPPHHSA-N
MW263.34 g/mol
LogP0.81
Rot. Bonds5

About [(2R)-3-(2-fluoro-1-trimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate

[(2R)-3-(2-fluoro-1-trimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate (PubChem CID 58333713) has the molecular formula C10H18FNO4Si and a molecular weight of 263.34 g/mol. Its IUPAC name is [(2R)-3-(2-fluoro-1-trimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-3-(2-fluoro-1-trimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate
PubChem CID58333713
Molecular FormulaC10H18FNO4Si
Molecular Weight263.34 g/mol
Exact Mass263.10
IUPAC Name[(2R)-3-(2-fluoro-1-trimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@H]1NC(=O)C1C(CF)O[Si](C)(C)C
InChIInChI=1S/C10H18FNO4Si/c1-6(13)15-10-8(9(14)12-10)7(5-11)16-17(2,3)4/h7-8,10H,5H2,1-4H3,(H,12,14)/t7?,8?,10-/m1/s1
InChIKeyWLVQNCVIESKWTO-SFVIPPHHSA-N
XLogP0.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(2-fluoro-1-trimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [(2R)-3-(2-fluoro-1-trimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate (CID 58333713) is [(2R)-3-(2-fluoro-1-trimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [(2R)-3-(2-fluoro-1-trimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [(2R)-3-(2-fluoro-1-trimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate is CC(=O)O[C@H]1NC(=O)C1C(CF)O[Si](C)(C)C.
What is the InChIKey of [(2R)-3-(2-fluoro-1-trimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate?
The InChIKey is WLVQNCVIESKWTO-SFVIPPHHSA-N. The full InChI is InChI=1S/C10H18FNO4Si/c1-6(13)15-10-8(9(14)12-10)7(5-11)16-17(2,3)4/h7-8,10H,5H2,1-4H3,(H,12,14)/t7?,8?,10-/m1/s1.
What are the key properties of [(2R)-3-(2-fluoro-1-trimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate?
[(2R)-3-(2-fluoro-1-trimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate has a molecular weight of 263.34 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(2-fluoro-1-trimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 58333713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).