2-fluoro-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid

C6H5FN2O5 — CID 81297726

IUPAC2-fluoro-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
SMILESCN1C(=O)C(=O)N(C(F)C(=O)O)C1=O
InChIInChI=1S/C6H5FN2O5/c1-8-3(10)4(11)9(6(8)14)2(7)5(12)13/h2H,1H3,(H,12,13)
InChIKeyREOMQJXDTRTQOX-UHFFFAOYSA-N
MW204.11 g/mol
LogP-1.21
Rot. Bonds2

About 2-fluoro-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid

2-fluoro-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid (PubChem CID 81297726) has the molecular formula C6H5FN2O5 and a molecular weight of 204.11 g/mol. Its IUPAC name is 2-fluoro-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
PubChem CID81297726
Molecular FormulaC6H5FN2O5
Molecular Weight204.11 g/mol
Exact Mass204.02
IUPAC Name2-fluoro-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
SMILESCN1C(=O)C(=O)N(C(F)C(=O)O)C1=O
InChIInChI=1S/C6H5FN2O5/c1-8-3(10)4(11)9(6(8)14)2(7)5(12)13/h2H,1H3,(H,12,13)
InChIKeyREOMQJXDTRTQOX-UHFFFAOYSA-N
XLogP-1.21
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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-fluoro-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid (CID 81297726) is 2-fluoro-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid is CN1C(=O)C(=O)N(C(F)C(=O)O)C1=O.
What is the InChIKey of 2-fluoro-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid?
The InChIKey is REOMQJXDTRTQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O5/c1-8-3(10)4(11)9(6(8)14)2(7)5(12)13/h2H,1H3,(H,12,13).
What are the key properties of 2-fluoro-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid?
2-fluoro-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid has a molecular weight of 204.11 g/mol, XLogP of -1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 81297726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).