1-[(1-fluoro-4-oxocyclohexyl)methyl]-5,5-dimethylimidazolidine-2,4-dione

C12H17FN2O3 — CID 171536643

IUPAC1-[(1-fluoro-4-oxocyclohexyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1CC1(F)CCC(=O)CC1
InChIInChI=1S/C12H17FN2O3/c1-11(2)9(17)14-10(18)15(11)7-12(13)5-3-8(16)4-6-12/h3-7H2,1-2H3,(H,14,17,18)
InChIKeyVWNDLGQHPAIYAB-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.17
Rot. Bonds2

About 1-[(1-fluoro-4-oxocyclohexyl)methyl]-5,5-dimethylimidazolidine-2,4-dione

1-[(1-fluoro-4-oxocyclohexyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 171536643) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-[(1-fluoro-4-oxocyclohexyl)methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(1-fluoro-4-oxocyclohexyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID171536643
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name1-[(1-fluoro-4-oxocyclohexyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1CC1(F)CCC(=O)CC1
InChIInChI=1S/C12H17FN2O3/c1-11(2)9(17)14-10(18)15(11)7-12(13)5-3-8(16)4-6-12/h3-7H2,1-2H3,(H,14,17,18)
InChIKeyVWNDLGQHPAIYAB-UHFFFAOYSA-N
XLogP1.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluoro-4-oxocyclohexyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[(1-fluoro-4-oxocyclohexyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 171536643) is 1-[(1-fluoro-4-oxocyclohexyl)methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(1-fluoro-4-oxocyclohexyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(1-fluoro-4-oxocyclohexyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)NC(=O)N1CC1(F)CCC(=O)CC1.
What is the InChIKey of 1-[(1-fluoro-4-oxocyclohexyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is VWNDLGQHPAIYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-11(2)9(17)14-10(18)15(11)7-12(13)5-3-8(16)4-6-12/h3-7H2,1-2H3,(H,14,17,18).
What are the key properties of 1-[(1-fluoro-4-oxocyclohexyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[(1-fluoro-4-oxocyclohexyl)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 256.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluoro-4-oxocyclohexyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 171536643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).