[(2R,3R)-4-oxo-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]-1-trimethylsilylazetidin-2-yl] acetate

C13H24F3NO4Si2 — CID 67307961

IUPAC[(2R,3R)-4-oxo-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]-1-trimethylsilylazetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)C(F)(F)F)C(=O)N1[Si](C)(C)C
InChIInChI=1S/C13H24F3NO4Si2/c1-8(18)20-12-9(11(19)17(12)22(2,3)4)10(13(14,15)16)21-23(5,6)7/h9-10,12H,1-7H3/t9-,10-,12+/m0/s1
InChIKeyDJLGNEHORONSMV-JBLDHEPKSA-N
MW371.50 g/mol
LogP2.95
Rot. Bonds5

About [(2R,3R)-4-oxo-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]-1-trimethylsilylazetidin-2-yl] acetate

[(2R,3R)-4-oxo-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]-1-trimethylsilylazetidin-2-yl] acetate (PubChem CID 67307961) has the molecular formula C13H24F3NO4Si2 and a molecular weight of 371.50 g/mol. Its IUPAC name is [(2R,3R)-4-oxo-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]-1-trimethylsilylazetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-4-oxo-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]-1-trimethylsilylazetidin-2-yl] acetate
PubChem CID67307961
Molecular FormulaC13H24F3NO4Si2
Molecular Weight371.50 g/mol
Exact Mass371.12
IUPAC Name[(2R,3R)-4-oxo-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]-1-trimethylsilylazetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)C(F)(F)F)C(=O)N1[Si](C)(C)C
InChIInChI=1S/C13H24F3NO4Si2/c1-8(18)20-12-9(11(19)17(12)22(2,3)4)10(13(14,15)16)21-23(5,6)7/h9-10,12H,1-7H3/t9-,10-,12+/m0/s1
InChIKeyDJLGNEHORONSMV-JBLDHEPKSA-N
XLogP2.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 52.95
H-Bond Donors ≤ 50
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,3R)-4-oxo-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]-1-trimethylsilylazetidin-2-yl] acetate?
The IUPAC name of [(2R,3R)-4-oxo-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]-1-trimethylsilylazetidin-2-yl] acetate (CID 67307961) is [(2R,3R)-4-oxo-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]-1-trimethylsilylazetidin-2-yl] acetate.
What is the SMILES notation for [(2R,3R)-4-oxo-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]-1-trimethylsilylazetidin-2-yl] acetate?
The canonical SMILES for [(2R,3R)-4-oxo-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]-1-trimethylsilylazetidin-2-yl] acetate is CC(=O)O[C@@H]1[C@@H]([C@H](O[Si](C)(C)C)C(F)(F)F)C(=O)N1[Si](C)(C)C.
What is the InChIKey of [(2R,3R)-4-oxo-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]-1-trimethylsilylazetidin-2-yl] acetate?
The InChIKey is DJLGNEHORONSMV-JBLDHEPKSA-N. The full InChI is InChI=1S/C13H24F3NO4Si2/c1-8(18)20-12-9(11(19)17(12)22(2,3)4)10(13(14,15)16)21-23(5,6)7/h9-10,12H,1-7H3/t9-,10-,12+/m0/s1.
What are the key properties of [(2R,3R)-4-oxo-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]-1-trimethylsilylazetidin-2-yl] acetate?
[(2R,3R)-4-oxo-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]-1-trimethylsilylazetidin-2-yl] acetate has a molecular weight of 371.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-4-oxo-3-[(1S)-2,2,2-trifluoro-1-trimethylsilyloxyethyl]-1-trimethylsilylazetidin-2-yl] acetate is sourced from PubChem (CID 67307961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).