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

C11H7FN2O3 — CID 150168529

IUPAC6-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)c1[nH]c(=O)[nH]c(=O)c1F
InChIInChI=1S/C11H7FN2O3/c12-7-8(13-11(17)14-10(7)16)9(15)6-4-2-1-3-5-6/h1-5H,(H2,13,14,16,17)
InChIKeyFIXRVFZYIZMWPV-UHFFFAOYSA-N
MW234.19 g/mol
LogP0.43
Rot. Bonds2

About 6-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione

6-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 150168529) has the molecular formula C11H7FN2O3 and a molecular weight of 234.19 g/mol. Its IUPAC name is 6-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID150168529
Molecular FormulaC11H7FN2O3
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name6-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)c1[nH]c(=O)[nH]c(=O)c1F
InChIInChI=1S/C11H7FN2O3/c12-7-8(13-11(17)14-10(7)16)9(15)6-4-2-1-3-5-6/h1-5H,(H2,13,14,16,17)
InChIKeyFIXRVFZYIZMWPV-UHFFFAOYSA-N
XLogP0.43
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione (CID 150168529) is 6-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione is O=C(c1ccccc1)c1[nH]c(=O)[nH]c(=O)c1F.
What is the InChIKey of 6-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is FIXRVFZYIZMWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3/c12-7-8(13-11(17)14-10(7)16)9(15)6-4-2-1-3-5-6/h1-5H,(H2,13,14,16,17).
What are the key properties of 6-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione?
6-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 234.19 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 150168529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).