3-(2,5-dioxoimidazolidin-1-yl)-2,2-difluoropropanoic acid

C6H6F2N2O4 — CID 130600717

IUPAC3-(2,5-dioxoimidazolidin-1-yl)-2,2-difluoropropanoic acid
SMILESO=C1CNC(=O)N1CC(F)(F)C(=O)O
InChIInChI=1S/C6H6F2N2O4/c7-6(8,4(12)13)2-10-3(11)1-9-5(10)14/h1-2H2,(H,9,14)(H,12,13)
InChIKeyWLSLXSFVTHDSGB-UHFFFAOYSA-N
MW208.12 g/mol
LogP-0.74
Rot. Bonds3

About 3-(2,5-dioxoimidazolidin-1-yl)-2,2-difluoropropanoic acid

3-(2,5-dioxoimidazolidin-1-yl)-2,2-difluoropropanoic acid (PubChem CID 130600717) has the molecular formula C6H6F2N2O4 and a molecular weight of 208.12 g/mol. Its IUPAC name is 3-(2,5-dioxoimidazolidin-1-yl)-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-(2,5-dioxoimidazolidin-1-yl)-2,2-difluoropropanoic acid
PubChem CID130600717
Molecular FormulaC6H6F2N2O4
Molecular Weight208.12 g/mol
Exact Mass208.03
IUPAC Name3-(2,5-dioxoimidazolidin-1-yl)-2,2-difluoropropanoic acid
SMILESO=C1CNC(=O)N1CC(F)(F)C(=O)O
InChIInChI=1S/C6H6F2N2O4/c7-6(8,4(12)13)2-10-3(11)1-9-5(10)14/h1-2H2,(H,9,14)(H,12,13)
InChIKeyWLSLXSFVTHDSGB-UHFFFAOYSA-N
XLogP-0.74
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.12
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-Dioxoimidazolidin-1-yl)alanine
CID 3035628
Hydantoinpropionic acid
CID 69303592
2-(4-(Aminomethyl)-2,5-dioxoimidazolidin-1-yl)acetic acid; trifluoroacetic acid
CID 132398910
Imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 70000154
2-Oxo-3-(2,2,2-trifluoroethyl)imidazolidine-4-carboxylic acid
CID 137955348
5-Methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 172804529
(4S)-1-methyl-2-oxo-3-(2,2,2-trifluoroacetyl)imidazolidine-4-carboxylic acid
CID 175128497
2,2,2-Trifluoroacetic acid;1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 175693746
3-[4-Methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid
CID 64264858
2-Acetamido-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid
CID 64581905
2-Amino-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid
CID 65442437
2,2-Dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid
CID 79629967

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxoimidazolidin-1-yl)-2,2-difluoropropanoic acid?
The IUPAC name of 3-(2,5-dioxoimidazolidin-1-yl)-2,2-difluoropropanoic acid (CID 130600717) is 3-(2,5-dioxoimidazolidin-1-yl)-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-(2,5-dioxoimidazolidin-1-yl)-2,2-difluoropropanoic acid?
The canonical SMILES for 3-(2,5-dioxoimidazolidin-1-yl)-2,2-difluoropropanoic acid is O=C1CNC(=O)N1CC(F)(F)C(=O)O.
What is the InChIKey of 3-(2,5-dioxoimidazolidin-1-yl)-2,2-difluoropropanoic acid?
The InChIKey is WLSLXSFVTHDSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O4/c7-6(8,4(12)13)2-10-3(11)1-9-5(10)14/h1-2H2,(H,9,14)(H,12,13).
What are the key properties of 3-(2,5-dioxoimidazolidin-1-yl)-2,2-difluoropropanoic acid?
3-(2,5-dioxoimidazolidin-1-yl)-2,2-difluoropropanoic acid has a molecular weight of 208.12 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxoimidazolidin-1-yl)-2,2-difluoropropanoic acid is sourced from PubChem (CID 130600717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).