diethyl 2-fluoro-2-(4-oxoazetidin-2-yl)propanedioate

C10H14FNO5 — CID 91547006

IUPACdiethyl 2-fluoro-2-(4-oxoazetidin-2-yl)propanedioate
SMILESCCOC(=O)C(F)(C(=O)OCC)C1CC(=O)N1
InChIInChI=1S/C10H14FNO5/c1-3-16-8(14)10(11,9(15)17-4-2)6-5-7(13)12-6/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyMZPBRYUKRBDELW-UHFFFAOYSA-N
MW247.22 g/mol
LogP-0.29
Rot. Bonds5

About diethyl 2-fluoro-2-(4-oxoazetidin-2-yl)propanedioate

diethyl 2-fluoro-2-(4-oxoazetidin-2-yl)propanedioate (PubChem CID 91547006) has the molecular formula C10H14FNO5 and a molecular weight of 247.22 g/mol. Its IUPAC name is diethyl 2-fluoro-2-(4-oxoazetidin-2-yl)propanedioate.

Molecular Properties

Compound Namediethyl 2-fluoro-2-(4-oxoazetidin-2-yl)propanedioate
PubChem CID91547006
Molecular FormulaC10H14FNO5
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Namediethyl 2-fluoro-2-(4-oxoazetidin-2-yl)propanedioate
SMILESCCOC(=O)C(F)(C(=O)OCC)C1CC(=O)N1
InChIInChI=1S/C10H14FNO5/c1-3-16-8(14)10(11,9(15)17-4-2)6-5-7(13)12-6/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyMZPBRYUKRBDELW-UHFFFAOYSA-N
XLogP-0.29
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze diethyl 2-fluoro-2-(4-oxoazetidin-2-yl)propanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 2-methyl-2-[(2R)-5-oxopyrrolidin-2-yl]propanedioate
CID 125180975
ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate
CID 13141611
diethyl 5-oxopyrrolidine-2,3-dicarboxylate
CID 45272996
ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate
CID 83212988
ethyl (3S)-3-(trifluoromethyl)piperazine-1-carboxylate
CID 86337014
ethyl 3-[(2S)-4-oxoazetidin-2-yl]prop-2-enoate
CID 54492673
methyl 2-methyl-2-(4-oxoazetidin-2-yl)-3-sulfanylidenepentanoate
CID 88754688
diethyl 2-fluoro-2-propan-2-ylpropanedioate
CID 88536481
ethyl 6-oxo-4-(trifluoromethyl)diazinane-3-carboxylate
CID 121229938
ethyl 2,2-difluoro-2-[(1S,2S)-2-methyl-3-oxocyclohexyl]acetate
CID 102436743
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
triethyl 2-fluoroethane-1,1,1-tricarboxylate
CID 24796347

Frequently Asked Questions

What is the IUPAC name of diethyl 2-fluoro-2-(4-oxoazetidin-2-yl)propanedioate?
The IUPAC name of diethyl 2-fluoro-2-(4-oxoazetidin-2-yl)propanedioate (CID 91547006) is diethyl 2-fluoro-2-(4-oxoazetidin-2-yl)propanedioate.
What is the SMILES notation for diethyl 2-fluoro-2-(4-oxoazetidin-2-yl)propanedioate?
The canonical SMILES for diethyl 2-fluoro-2-(4-oxoazetidin-2-yl)propanedioate is CCOC(=O)C(F)(C(=O)OCC)C1CC(=O)N1.
What is the InChIKey of diethyl 2-fluoro-2-(4-oxoazetidin-2-yl)propanedioate?
The InChIKey is MZPBRYUKRBDELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO5/c1-3-16-8(14)10(11,9(15)17-4-2)6-5-7(13)12-6/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of diethyl 2-fluoro-2-(4-oxoazetidin-2-yl)propanedioate?
diethyl 2-fluoro-2-(4-oxoazetidin-2-yl)propanedioate has a molecular weight of 247.22 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-fluoro-2-(4-oxoazetidin-2-yl)propanedioate is sourced from PubChem (CID 91547006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).