5-fluoro-1-phenacylpyrimidin-2-one

C12H9FN2O2 — CID 12795536

IUPAC5-fluoro-1-phenacylpyrimidin-2-one
SMILESO=C(Cn1cc(F)cnc1=O)c1ccccc1
InChIInChI=1S/C12H9FN2O2/c13-10-6-14-12(17)15(7-10)8-11(16)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyFEVBXAHTSPONGL-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.27
Rot. Bonds3

About 5-fluoro-1-phenacylpyrimidin-2-one

5-fluoro-1-phenacylpyrimidin-2-one (PubChem CID 12795536) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 5-fluoro-1-phenacylpyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-1-phenacylpyrimidin-2-one
PubChem CID12795536
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name5-fluoro-1-phenacylpyrimidin-2-one
SMILESO=C(Cn1cc(F)cnc1=O)c1ccccc1
InChIInChI=1S/C12H9FN2O2/c13-10-6-14-12(17)15(7-10)8-11(16)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyFEVBXAHTSPONGL-UHFFFAOYSA-N
XLogP1.27
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-phenacylpyrimidin-2-one?
The IUPAC name of 5-fluoro-1-phenacylpyrimidin-2-one (CID 12795536) is 5-fluoro-1-phenacylpyrimidin-2-one.
What is the SMILES notation for 5-fluoro-1-phenacylpyrimidin-2-one?
The canonical SMILES for 5-fluoro-1-phenacylpyrimidin-2-one is O=C(Cn1cc(F)cnc1=O)c1ccccc1.
What is the InChIKey of 5-fluoro-1-phenacylpyrimidin-2-one?
The InChIKey is FEVBXAHTSPONGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-10-6-14-12(17)15(7-10)8-11(16)9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 5-fluoro-1-phenacylpyrimidin-2-one?
5-fluoro-1-phenacylpyrimidin-2-one has a molecular weight of 232.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-phenacylpyrimidin-2-one is sourced from PubChem (CID 12795536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).