5-fluoro-1-(2-oxocyclobutyl)pyrimidine-2,4-dione

C8H7FN2O3 — CID 10845622

IUPAC5-fluoro-1-(2-oxocyclobutyl)pyrimidine-2,4-dione
SMILESO=C1CCC1n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H7FN2O3/c9-4-3-11(5-1-2-6(5)12)8(14)10-7(4)13/h3,5H,1-2H2,(H,10,13,14)
InChIKeyQZCROJXYYKDXAK-UHFFFAOYSA-N
MW198.15 g/mol
LogP-0.42
Rot. Bonds1

About 5-fluoro-1-(2-oxocyclobutyl)pyrimidine-2,4-dione

5-fluoro-1-(2-oxocyclobutyl)pyrimidine-2,4-dione (PubChem CID 10845622) has the molecular formula C8H7FN2O3 and a molecular weight of 198.15 g/mol. Its IUPAC name is 5-fluoro-1-(2-oxocyclobutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(2-oxocyclobutyl)pyrimidine-2,4-dione
PubChem CID10845622
Molecular FormulaC8H7FN2O3
Molecular Weight198.15 g/mol
Exact Mass198.04
IUPAC Name5-fluoro-1-(2-oxocyclobutyl)pyrimidine-2,4-dione
SMILESO=C1CCC1n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H7FN2O3/c9-4-3-11(5-1-2-6(5)12)8(14)10-7(4)13/h3,5H,1-2H2,(H,10,13,14)
InChIKeyQZCROJXYYKDXAK-UHFFFAOYSA-N
XLogP-0.42
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-1-(2-oxocyclohexyl)pyrimidine-2,4-dione
CID 10846846
5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione
CID 712433
5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71434333
1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 142167597
1-[(1S,3S,5S)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]-5-fluoropyrimidine-2,4-dione
CID 10799340
5-fluoro-1-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]pyrimidine-2,4-dione
CID 26501923
5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione
CID 52916693
5-fluoro-1-[(3S,4S)-4-(hydroxymethyl)thiolan-3-yl]pyrimidine-2,4-dione
CID 102087265
CID 156804470
CID 156804470
5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 163529144
4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
CID 169190520
(5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carboxylic acid
CID 70610848

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-oxocyclobutyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(2-oxocyclobutyl)pyrimidine-2,4-dione (CID 10845622) is 5-fluoro-1-(2-oxocyclobutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(2-oxocyclobutyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(2-oxocyclobutyl)pyrimidine-2,4-dione is O=C1CCC1n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-(2-oxocyclobutyl)pyrimidine-2,4-dione?
The InChIKey is QZCROJXYYKDXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O3/c9-4-3-11(5-1-2-6(5)12)8(14)10-7(4)13/h3,5H,1-2H2,(H,10,13,14).
What are the key properties of 5-fluoro-1-(2-oxocyclobutyl)pyrimidine-2,4-dione?
5-fluoro-1-(2-oxocyclobutyl)pyrimidine-2,4-dione has a molecular weight of 198.15 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-oxocyclobutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10845622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).