1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione

C14H9FN2O4 — CID 63557988

IUPAC1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
SMILESO=C(Cn1cc(F)c(=O)[nH]c1=O)c1coc2ccccc12
InChIInChI=1S/C14H9FN2O4/c15-10-5-17(14(20)16-13(10)19)6-11(18)9-7-21-12-4-2-1-3-8(9)12/h1-5,7H,6H2,(H,16,19,20)
InChIKeyWGJAGRSDPUHYIT-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.30
Rot. Bonds3

About 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione

1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 63557988) has the molecular formula C14H9FN2O4 and a molecular weight of 288.23 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
PubChem CID63557988
Molecular FormulaC14H9FN2O4
Molecular Weight288.23 g/mol
Exact Mass288.05
IUPAC Name1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
SMILESO=C(Cn1cc(F)c(=O)[nH]c1=O)c1coc2ccccc12
InChIInChI=1S/C14H9FN2O4/c15-10-5-17(14(20)16-13(10)19)6-11(18)9-7-21-12-4-2-1-3-8(9)12/h1-5,7H,6H2,(H,16,19,20)
InChIKeyWGJAGRSDPUHYIT-UHFFFAOYSA-N
XLogP1.30
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione (CID 63557988) is 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione is O=C(Cn1cc(F)c(=O)[nH]c1=O)c1coc2ccccc12.
What is the InChIKey of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is WGJAGRSDPUHYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O4/c15-10-5-17(14(20)16-13(10)19)6-11(18)9-7-21-12-4-2-1-3-8(9)12/h1-5,7H,6H2,(H,16,19,20).
What are the key properties of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione?
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 288.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 63557988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).