1-fluoroimidazolidin-2-one

C3H5FN2O — CID 162746929

IUPAC1-fluoroimidazolidin-2-one
SMILESO=C1NCCN1F
InChIInChI=1S/C3H5FN2O/c4-6-2-1-5-3(6)7/h1-2H2,(H,5,7)
InChIKeyXCMZPYRGTPFEOF-UHFFFAOYSA-N
MW104.08 g/mol
LogP-0.10
Rot. Bonds

About 1-fluoroimidazolidin-2-one

1-fluoroimidazolidin-2-one (PubChem CID 162746929) has the molecular formula C3H5FN2O and a molecular weight of 104.08 g/mol. Its IUPAC name is 1-fluoroimidazolidin-2-one.

Molecular Properties

Compound Name1-fluoroimidazolidin-2-one
PubChem CID162746929
Molecular FormulaC3H5FN2O
Molecular Weight104.08 g/mol
Exact Mass104.04
IUPAC Name1-fluoroimidazolidin-2-one
SMILESO=C1NCCN1F
InChIInChI=1S/C3H5FN2O/c4-6-2-1-5-3(6)7/h1-2H2,(H,5,7)
InChIKeyXCMZPYRGTPFEOF-UHFFFAOYSA-N
XLogP-0.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.08
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
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-fluoroimidazolidin-2-one?
The IUPAC name of 1-fluoroimidazolidin-2-one (CID 162746929) is 1-fluoroimidazolidin-2-one.
What is the SMILES notation for 1-fluoroimidazolidin-2-one?
The canonical SMILES for 1-fluoroimidazolidin-2-one is O=C1NCCN1F.
What is the InChIKey of 1-fluoroimidazolidin-2-one?
The InChIKey is XCMZPYRGTPFEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FN2O/c4-6-2-1-5-3(6)7/h1-2H2,(H,5,7).
What are the key properties of 1-fluoroimidazolidin-2-one?
1-fluoroimidazolidin-2-one has a molecular weight of 104.08 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroimidazolidin-2-one is sourced from PubChem (CID 162746929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).