1-(fluoromethyl)-4H-imidazol-5-one

C4H5FN2O — CID 173379124

IUPAC1-(fluoromethyl)-4H-imidazol-5-one
SMILESO=C1CN=CN1CF
InChIInChI=1S/C4H5FN2O/c5-2-7-3-6-1-4(7)8/h3H,1-2H2
InChIKeyOBGPKVGZPSMCNT-UHFFFAOYSA-N
MW116.09 g/mol
LogP-0.22
Rot. Bonds1

About 1-(fluoromethyl)-4H-imidazol-5-one

1-(fluoromethyl)-4H-imidazol-5-one (PubChem CID 173379124) has the molecular formula C4H5FN2O and a molecular weight of 116.09 g/mol. Its IUPAC name is 1-(fluoromethyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name1-(fluoromethyl)-4H-imidazol-5-one
PubChem CID173379124
Molecular FormulaC4H5FN2O
Molecular Weight116.09 g/mol
Exact Mass116.04
IUPAC Name1-(fluoromethyl)-4H-imidazol-5-one
SMILESO=C1CN=CN1CF
InChIInChI=1S/C4H5FN2O/c5-2-7-3-6-1-4(7)8/h3H,1-2H2
InChIKeyOBGPKVGZPSMCNT-UHFFFAOYSA-N
XLogP-0.22
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.09
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-4H-imidazol-5-one?
The IUPAC name of 1-(fluoromethyl)-4H-imidazol-5-one (CID 173379124) is 1-(fluoromethyl)-4H-imidazol-5-one.
What is the SMILES notation for 1-(fluoromethyl)-4H-imidazol-5-one?
The canonical SMILES for 1-(fluoromethyl)-4H-imidazol-5-one is O=C1CN=CN1CF.
What is the InChIKey of 1-(fluoromethyl)-4H-imidazol-5-one?
The InChIKey is OBGPKVGZPSMCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2O/c5-2-7-3-6-1-4(7)8/h3H,1-2H2.
What are the key properties of 1-(fluoromethyl)-4H-imidazol-5-one?
1-(fluoromethyl)-4H-imidazol-5-one has a molecular weight of 116.09 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4H-imidazol-5-one is sourced from PubChem (CID 173379124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).