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

C10H15FN2O4 — CID 81298135

IUPAC2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid
SMILESCCCCC1(C)NC(=O)N(C(F)C(=O)O)C1=O
InChIInChI=1S/C10H15FN2O4/c1-3-4-5-10(2)8(16)13(9(17)12-10)6(11)7(14)15/h6H,3-5H2,1-2H3,(H,12,17)(H,14,15)
InChIKeyLOHSNVDJDBEKIG-UHFFFAOYSA-N
MW246.24 g/mol
LogP0.87
Rot. Bonds5

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

2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid (PubChem CID 81298135) has the molecular formula C10H15FN2O4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid
PubChem CID81298135
Molecular FormulaC10H15FN2O4
Molecular Weight246.24 g/mol
Exact Mass246.10
IUPAC Name2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid
SMILESCCCCC1(C)NC(=O)N(C(F)C(=O)O)C1=O
InChIInChI=1S/C10H15FN2O4/c1-3-4-5-10(2)8(16)13(9(17)12-10)6(11)7(14)15/h6H,3-5H2,1-2H3,(H,12,17)(H,14,15)
InChIKeyLOHSNVDJDBEKIG-UHFFFAOYSA-N
XLogP0.87
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 50.87
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-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid (CID 81298135) is 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid is CCCCC1(C)NC(=O)N(C(F)C(=O)O)C1=O.
What is the InChIKey of 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid?
The InChIKey is LOHSNVDJDBEKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O4/c1-3-4-5-10(2)8(16)13(9(17)12-10)6(11)7(14)15/h6H,3-5H2,1-2H3,(H,12,17)(H,14,15).
What are the key properties of 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid?
2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid has a molecular weight of 246.24 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81298135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).