[(2S,3R)-1-benzyl-3-[(1R)-1-fluoroethyl]-4-oxoazetidin-2-yl] acetate

C14H16FNO3 — CID 70416266

IUPAC[(2S,3R)-1-benzyl-3-[(1R)-1-fluoroethyl]-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@H]1[C@@H]([C@@H](C)F)C(=O)N1Cc1ccccc1
InChIInChI=1S/C14H16FNO3/c1-9(15)12-13(18)16(14(12)19-10(2)17)8-11-6-4-3-5-7-11/h3-7,9,12,14H,8H2,1-2H3/t9-,12+,14+/m1/s1
InChIKeyABDIAYZJILKZMW-LQJRIPTKSA-N
MW265.28 g/mol
LogP1.89
Rot. Bonds4

About [(2S,3R)-1-benzyl-3-[(1R)-1-fluoroethyl]-4-oxoazetidin-2-yl] acetate

[(2S,3R)-1-benzyl-3-[(1R)-1-fluoroethyl]-4-oxoazetidin-2-yl] acetate (PubChem CID 70416266) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is [(2S,3R)-1-benzyl-3-[(1R)-1-fluoroethyl]-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2S,3R)-1-benzyl-3-[(1R)-1-fluoroethyl]-4-oxoazetidin-2-yl] acetate
PubChem CID70416266
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name[(2S,3R)-1-benzyl-3-[(1R)-1-fluoroethyl]-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)O[C@H]1[C@@H]([C@@H](C)F)C(=O)N1Cc1ccccc1
InChIInChI=1S/C14H16FNO3/c1-9(15)12-13(18)16(14(12)19-10(2)17)8-11-6-4-3-5-7-11/h3-7,9,12,14H,8H2,1-2H3/t9-,12+,14+/m1/s1
InChIKeyABDIAYZJILKZMW-LQJRIPTKSA-N
XLogP1.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-benzyl-3-[(1R)-1-fluoroethyl]-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [(2S,3R)-1-benzyl-3-[(1R)-1-fluoroethyl]-4-oxoazetidin-2-yl] acetate (CID 70416266) is [(2S,3R)-1-benzyl-3-[(1R)-1-fluoroethyl]-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [(2S,3R)-1-benzyl-3-[(1R)-1-fluoroethyl]-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [(2S,3R)-1-benzyl-3-[(1R)-1-fluoroethyl]-4-oxoazetidin-2-yl] acetate is CC(=O)O[C@H]1[C@@H]([C@@H](C)F)C(=O)N1Cc1ccccc1.
What is the InChIKey of [(2S,3R)-1-benzyl-3-[(1R)-1-fluoroethyl]-4-oxoazetidin-2-yl] acetate?
The InChIKey is ABDIAYZJILKZMW-LQJRIPTKSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-9(15)12-13(18)16(14(12)19-10(2)17)8-11-6-4-3-5-7-11/h3-7,9,12,14H,8H2,1-2H3/t9-,12+,14+/m1/s1.
What are the key properties of [(2S,3R)-1-benzyl-3-[(1R)-1-fluoroethyl]-4-oxoazetidin-2-yl] acetate?
[(2S,3R)-1-benzyl-3-[(1R)-1-fluoroethyl]-4-oxoazetidin-2-yl] acetate has a molecular weight of 265.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-benzyl-3-[(1R)-1-fluoroethyl]-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 70416266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).