1-fluoro-3-propan-2-ylimidazolidin-2-one

C6H11FN2O — CID 164760229

IUPAC1-fluoro-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(F)C1=O
InChIInChI=1S/C6H11FN2O/c1-5(2)8-3-4-9(7)6(8)10/h5H,3-4H2,1-2H3
InChIKeyFXNMZIKFRMXAGU-UHFFFAOYSA-N
MW146.16 g/mol
LogP1.02
Rot. Bonds1

About 1-fluoro-3-propan-2-ylimidazolidin-2-one

1-fluoro-3-propan-2-ylimidazolidin-2-one (PubChem CID 164760229) has the molecular formula C6H11FN2O and a molecular weight of 146.16 g/mol. Its IUPAC name is 1-fluoro-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-fluoro-3-propan-2-ylimidazolidin-2-one
PubChem CID164760229
Molecular FormulaC6H11FN2O
Molecular Weight146.16 g/mol
Exact Mass146.09
IUPAC Name1-fluoro-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(F)C1=O
InChIInChI=1S/C6H11FN2O/c1-5(2)8-3-4-9(7)6(8)10/h5H,3-4H2,1-2H3
InChIKeyFXNMZIKFRMXAGU-UHFFFAOYSA-N
XLogP1.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-fluoro-3-propan-2-ylimidazolidin-2-one (CID 164760229) is 1-fluoro-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-fluoro-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-fluoro-3-propan-2-ylimidazolidin-2-one is CC(C)N1CCN(F)C1=O.
What is the InChIKey of 1-fluoro-3-propan-2-ylimidazolidin-2-one?
The InChIKey is FXNMZIKFRMXAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O/c1-5(2)8-3-4-9(7)6(8)10/h5H,3-4H2,1-2H3.
What are the key properties of 1-fluoro-3-propan-2-ylimidazolidin-2-one?
1-fluoro-3-propan-2-ylimidazolidin-2-one has a molecular weight of 146.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 164760229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).