4-fluoro-1,3-dimethylimidazolidin-2-one

C5H9FN2O — CID 141412360

IUPAC4-fluoro-1,3-dimethylimidazolidin-2-one
SMILESCN1CC(F)N(C)C1=O
InChIInChI=1S/C5H9FN2O/c1-7-3-4(6)8(2)5(7)9/h4H,3H2,1-2H3
InChIKeyWPIRBLZJKQYDPO-UHFFFAOYSA-N
MW132.14 g/mol
LogP0.28
Rot. Bonds

About 4-fluoro-1,3-dimethylimidazolidin-2-one

4-fluoro-1,3-dimethylimidazolidin-2-one (PubChem CID 141412360) has the molecular formula C5H9FN2O and a molecular weight of 132.14 g/mol. Its IUPAC name is 4-fluoro-1,3-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name4-fluoro-1,3-dimethylimidazolidin-2-one
PubChem CID141412360
Molecular FormulaC5H9FN2O
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Name4-fluoro-1,3-dimethylimidazolidin-2-one
SMILESCN1CC(F)N(C)C1=O
InChIInChI=1S/C5H9FN2O/c1-7-3-4(6)8(2)5(7)9/h4H,3H2,1-2H3
InChIKeyWPIRBLZJKQYDPO-UHFFFAOYSA-N
XLogP0.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,3-dimethylimidazolidin-2-one?
The IUPAC name of 4-fluoro-1,3-dimethylimidazolidin-2-one (CID 141412360) is 4-fluoro-1,3-dimethylimidazolidin-2-one.
What is the SMILES notation for 4-fluoro-1,3-dimethylimidazolidin-2-one?
The canonical SMILES for 4-fluoro-1,3-dimethylimidazolidin-2-one is CN1CC(F)N(C)C1=O.
What is the InChIKey of 4-fluoro-1,3-dimethylimidazolidin-2-one?
The InChIKey is WPIRBLZJKQYDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2O/c1-7-3-4(6)8(2)5(7)9/h4H,3H2,1-2H3.
What are the key properties of 4-fluoro-1,3-dimethylimidazolidin-2-one?
4-fluoro-1,3-dimethylimidazolidin-2-one has a molecular weight of 132.14 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,3-dimethylimidazolidin-2-one is sourced from PubChem (CID 141412360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).