2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid

C8H11FN2O4 — CID 81297119

IUPAC2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid
SMILESCCC1(C)NC(=O)N(C(F)C(=O)O)C1=O
InChIInChI=1S/C8H11FN2O4/c1-3-8(2)6(14)11(7(15)10-8)4(9)5(12)13/h4H,3H2,1-2H3,(H,10,15)(H,12,13)
InChIKeyHVJPQWIATNHTBT-UHFFFAOYSA-N
MW218.18 g/mol
LogP0.09
Rot. Bonds3

About 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid

2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid (PubChem CID 81297119) has the molecular formula C8H11FN2O4 and a molecular weight of 218.18 g/mol. Its IUPAC name is 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid
PubChem CID81297119
Molecular FormulaC8H11FN2O4
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid
SMILESCCC1(C)NC(=O)N(C(F)C(=O)O)C1=O
InChIInChI=1S/C8H11FN2O4/c1-3-8(2)6(14)11(7(15)10-8)4(9)5(12)13/h4H,3H2,1-2H3,(H,10,15)(H,12,13)
InChIKeyHVJPQWIATNHTBT-UHFFFAOYSA-N
XLogP0.09
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 50.09
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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Related Compounds

(5R)-5-ethyl-5-methyl-3-nonan-2-ylimidazolidine-2,4-dione
CID 134243919
(5R)-3-(disulfanyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 137384358
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 94154833
3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 18070377
3-ethoxy-5-ethyl-5-methylimidazolidine-2,4-dione
CID 130653587
5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile
CID 60673570
3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid
CID 43170651
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
CID 63577196
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 107866565
(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 69108488
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid
CID 82028835
ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate
CID 95357591

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid (CID 81297119) is 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid is CCC1(C)NC(=O)N(C(F)C(=O)O)C1=O.
What is the InChIKey of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid?
The InChIKey is HVJPQWIATNHTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O4/c1-3-8(2)6(14)11(7(15)10-8)4(9)5(12)13/h4H,3H2,1-2H3,(H,10,15)(H,12,13).
What are the key properties of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid?
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid has a molecular weight of 218.18 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81297119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).