(2-oxo-1H-pyrimidin-6-yl) hypofluorite

C4H3FN2O2 — CID 56617257

IUPAC(2-oxo-1H-pyrimidin-6-yl) hypofluorite
SMILESO=c1nccc(OF)[nH]1
InChIInChI=1S/C4H3FN2O2/c5-9-3-1-2-6-4(8)7-3/h1-2H,(H,6,7,8)
InChIKeyXLOOVRKYBCPOSM-UHFFFAOYSA-N
MW130.08 g/mol
LogP0.03
Rot. Bonds1

About (2-oxo-1H-pyrimidin-6-yl) hypofluorite

(2-oxo-1H-pyrimidin-6-yl) hypofluorite (PubChem CID 56617257) has the molecular formula C4H3FN2O2 and a molecular weight of 130.08 g/mol. Its IUPAC name is (2-oxo-1H-pyrimidin-6-yl) hypofluorite.

Molecular Properties

Compound Name(2-oxo-1H-pyrimidin-6-yl) hypofluorite
PubChem CID56617257
Molecular FormulaC4H3FN2O2
Molecular Weight130.08 g/mol
Exact Mass130.02
IUPAC Name(2-oxo-1H-pyrimidin-6-yl) hypofluorite
SMILESO=c1nccc(OF)[nH]1
InChIInChI=1S/C4H3FN2O2/c5-9-3-1-2-6-4(8)7-3/h1-2H,(H,6,7,8)
InChIKeyXLOOVRKYBCPOSM-UHFFFAOYSA-N
XLogP0.03
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.08
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-oxo-1H-pyrimidin-6-yl) hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-pyrimidin-6-yl) hypofluorite?
The IUPAC name of (2-oxo-1H-pyrimidin-6-yl) hypofluorite (CID 56617257) is (2-oxo-1H-pyrimidin-6-yl) hypofluorite.
What is the SMILES notation for (2-oxo-1H-pyrimidin-6-yl) hypofluorite?
The canonical SMILES for (2-oxo-1H-pyrimidin-6-yl) hypofluorite is O=c1nccc(OF)[nH]1.
What is the InChIKey of (2-oxo-1H-pyrimidin-6-yl) hypofluorite?
The InChIKey is XLOOVRKYBCPOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2/c5-9-3-1-2-6-4(8)7-3/h1-2H,(H,6,7,8).
What are the key properties of (2-oxo-1H-pyrimidin-6-yl) hypofluorite?
(2-oxo-1H-pyrimidin-6-yl) hypofluorite has a molecular weight of 130.08 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-pyrimidin-6-yl) hypofluorite is sourced from PubChem (CID 56617257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).