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

C14H16FNO3 — CID 13471581

IUPACbenzyl 2-[3-(1-fluoroethyl)-4-oxoazetidin-2-yl]acetate
SMILESCC(F)C1C(=O)NC1CC(=O)OCc1ccccc1
InChIInChI=1S/C14H16FNO3/c1-9(15)13-11(16-14(13)18)7-12(17)19-8-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3,(H,16,18)
InChIKeyOXEOWHNZSKJZIK-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.59
Rot. Bonds5

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

benzyl 2-[3-(1-fluoroethyl)-4-oxoazetidin-2-yl]acetate (PubChem CID 13471581) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is benzyl 2-[3-(1-fluoroethyl)-4-oxoazetidin-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[3-(1-fluoroethyl)-4-oxoazetidin-2-yl]acetate
PubChem CID13471581
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Namebenzyl 2-[3-(1-fluoroethyl)-4-oxoazetidin-2-yl]acetate
SMILESCC(F)C1C(=O)NC1CC(=O)OCc1ccccc1
InChIInChI=1S/C14H16FNO3/c1-9(15)13-11(16-14(13)18)7-12(17)19-8-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3,(H,16,18)
InChIKeyOXEOWHNZSKJZIK-UHFFFAOYSA-N
XLogP1.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[3-(1-fluoroethyl)-4-oxoazetidin-2-yl]acetate?
The IUPAC name of benzyl 2-[3-(1-fluoroethyl)-4-oxoazetidin-2-yl]acetate (CID 13471581) is benzyl 2-[3-(1-fluoroethyl)-4-oxoazetidin-2-yl]acetate.
What is the SMILES notation for benzyl 2-[3-(1-fluoroethyl)-4-oxoazetidin-2-yl]acetate?
The canonical SMILES for benzyl 2-[3-(1-fluoroethyl)-4-oxoazetidin-2-yl]acetate is CC(F)C1C(=O)NC1CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[3-(1-fluoroethyl)-4-oxoazetidin-2-yl]acetate?
The InChIKey is OXEOWHNZSKJZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-9(15)13-11(16-14(13)18)7-12(17)19-8-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3,(H,16,18).
What are the key properties of benzyl 2-[3-(1-fluoroethyl)-4-oxoazetidin-2-yl]acetate?
benzyl 2-[3-(1-fluoroethyl)-4-oxoazetidin-2-yl]acetate has a molecular weight of 265.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[3-(1-fluoroethyl)-4-oxoazetidin-2-yl]acetate is sourced from PubChem (CID 13471581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).