1-butanoyl-5-fluoropyrimidine-2,4-dione

C8H9FN2O3 — CID 12783670

IUPAC1-butanoyl-5-fluoropyrimidine-2,4-dione
SMILESCCCC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9FN2O3/c1-2-3-6(12)11-4-5(9)7(13)10-8(11)14/h4H,2-3H2,1H3,(H,10,13,14)
InChIKeyRSLLEERJLUIPBG-UHFFFAOYSA-N
MW200.17 g/mol
LogP0.12
Rot. Bonds2

About 1-butanoyl-5-fluoropyrimidine-2,4-dione

1-butanoyl-5-fluoropyrimidine-2,4-dione (PubChem CID 12783670) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 1-butanoyl-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butanoyl-5-fluoropyrimidine-2,4-dione
PubChem CID12783670
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name1-butanoyl-5-fluoropyrimidine-2,4-dione
SMILESCCCC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9FN2O3/c1-2-3-6(12)11-4-5(9)7(13)10-8(11)14/h4H,2-3H2,1H3,(H,10,13,14)
InChIKeyRSLLEERJLUIPBG-UHFFFAOYSA-N
XLogP0.12
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-butanoyl-5-fluoropyrimidine-2,4-dione (CID 12783670) is 1-butanoyl-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-butanoyl-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-butanoyl-5-fluoropyrimidine-2,4-dione is CCCC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-butanoyl-5-fluoropyrimidine-2,4-dione?
The InChIKey is RSLLEERJLUIPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c1-2-3-6(12)11-4-5(9)7(13)10-8(11)14/h4H,2-3H2,1H3,(H,10,13,14).
What are the key properties of 1-butanoyl-5-fluoropyrimidine-2,4-dione?
1-butanoyl-5-fluoropyrimidine-2,4-dione has a molecular weight of 200.17 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 12783670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).