3-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione

C11H7FN2O3 — CID 12690827

IUPAC3-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C11H7FN2O3/c12-8-6-13-11(17)14(10(8)16)9(15)7-4-2-1-3-5-7/h1-6H,(H,13,17)
InChIKeyOAPBZIITNDJWQW-UHFFFAOYSA-N
MW234.19 g/mol
LogP0.36
Rot. Bonds1

About 3-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione

3-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 12690827) has the molecular formula C11H7FN2O3 and a molecular weight of 234.19 g/mol. Its IUPAC name is 3-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID12690827
Molecular FormulaC11H7FN2O3
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name3-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C11H7FN2O3/c12-8-6-13-11(17)14(10(8)16)9(15)7-4-2-1-3-5-7/h1-6H,(H,13,17)
InChIKeyOAPBZIITNDJWQW-UHFFFAOYSA-N
XLogP0.36
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione (CID 12690827) is 3-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione is O=C(c1ccccc1)n1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of 3-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is OAPBZIITNDJWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3/c12-8-6-13-11(17)14(10(8)16)9(15)7-4-2-1-3-5-7/h1-6H,(H,13,17).
What are the key properties of 3-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione?
3-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 234.19 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 12690827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).