1-(fluoromethyl)imidazolidin-2-one

C4H7FN2O — CID 67256943

IUPAC1-(fluoromethyl)imidazolidin-2-one
SMILESO=C1NCCN1CF
InChIInChI=1S/C4H7FN2O/c5-3-7-2-1-6-4(7)8/h1-3H2,(H,6,8)
InChIKeyGIHITQQDQMPMRY-UHFFFAOYSA-N
MW118.11 g/mol
LogP-0.06
Rot. Bonds1

About 1-(fluoromethyl)imidazolidin-2-one

1-(fluoromethyl)imidazolidin-2-one (PubChem CID 67256943) has the molecular formula C4H7FN2O and a molecular weight of 118.11 g/mol. Its IUPAC name is 1-(fluoromethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(fluoromethyl)imidazolidin-2-one
PubChem CID67256943
Molecular FormulaC4H7FN2O
Molecular Weight118.11 g/mol
Exact Mass118.05
IUPAC Name1-(fluoromethyl)imidazolidin-2-one
SMILESO=C1NCCN1CF
InChIInChI=1S/C4H7FN2O/c5-3-7-2-1-6-4(7)8/h1-3H2,(H,6,8)
InChIKeyGIHITQQDQMPMRY-UHFFFAOYSA-N
XLogP-0.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
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 1-(fluoromethyl)imidazolidin-2-one?
The IUPAC name of 1-(fluoromethyl)imidazolidin-2-one (CID 67256943) is 1-(fluoromethyl)imidazolidin-2-one.
What is the SMILES notation for 1-(fluoromethyl)imidazolidin-2-one?
The canonical SMILES for 1-(fluoromethyl)imidazolidin-2-one is O=C1NCCN1CF.
What is the InChIKey of 1-(fluoromethyl)imidazolidin-2-one?
The InChIKey is GIHITQQDQMPMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN2O/c5-3-7-2-1-6-4(7)8/h1-3H2,(H,6,8).
What are the key properties of 1-(fluoromethyl)imidazolidin-2-one?
1-(fluoromethyl)imidazolidin-2-one has a molecular weight of 118.11 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)imidazolidin-2-one is sourced from PubChem (CID 67256943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).