2-(2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid

C5H5FN2O4 — CID 81298563

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)N1C(=O)CNC1=O
InChIInChI=1S/C5H5FN2O4/c6-3(4(10)11)8-2(9)1-7-5(8)12/h3H,1H2,(H,7,12)(H,10,11)
InChIKeyLYPNBRCEHNYMTN-UHFFFAOYSA-N
MW176.10 g/mol
LogP-1.08
Rot. Bonds2

About 2-(2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid

2-(2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid (PubChem CID 81298563) has the molecular formula C5H5FN2O4 and a molecular weight of 176.10 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid
PubChem CID81298563
Molecular FormulaC5H5FN2O4
Molecular Weight176.10 g/mol
Exact Mass176.02
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)N1C(=O)CNC1=O
InChIInChI=1S/C5H5FN2O4/c6-3(4(10)11)8-2(9)1-7-5(8)12/h3H,1H2,(H,7,12)(H,10,11)
InChIKeyLYPNBRCEHNYMTN-UHFFFAOYSA-N
XLogP-1.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.10
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid (CID 81298563) is 2-(2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid is O=C(O)C(F)N1C(=O)CNC1=O.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid?
The InChIKey is LYPNBRCEHNYMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O4/c6-3(4(10)11)8-2(9)1-7-5(8)12/h3H,1H2,(H,7,12)(H,10,11).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid?
2-(2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid has a molecular weight of 176.10 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81298563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).