5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione

C8H7FN2O4 — CID 712433

IUPAC5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione
SMILESO=C1OCC[C@@H]1n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H7FN2O4/c9-4-3-11(8(14)10-6(4)12)5-1-2-15-7(5)13/h3,5H,1-2H2,(H,10,12,14)/t5-/m0/s1
InChIKeyNRBFQWKKTTWGQQ-YFKPBYRVSA-N
MW214.15 g/mol
LogP-0.84
Rot. Bonds1

About 5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione

5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione (PubChem CID 712433) has the molecular formula C8H7FN2O4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione
PubChem CID712433
Molecular FormulaC8H7FN2O4
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione
SMILESO=C1OCC[C@@H]1n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H7FN2O4/c9-4-3-11(8(14)10-6(4)12)5-1-2-15-7(5)13/h3,5H,1-2H2,(H,10,12,14)/t5-/m0/s1
InChIKeyNRBFQWKKTTWGQQ-YFKPBYRVSA-N
XLogP-0.84
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione
CID 165482457
5-fluoro-1-(2-oxocyclobutyl)pyrimidine-2,4-dione
CID 10845622
5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71434333
5-bromo-1-(2-oxooxolan-3-yl)-4-sulfanylidenepyrimidin-2-one
CID 23272208
5-fluoro-1-(2-oxocyclohexyl)pyrimidine-2,4-dione
CID 10846846
1-(2-oxooxolan-3-yl)-4-sulfanylidenepyrimidin-2-one
CID 23272220
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
CID 156804470
CID 156804470
5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione
CID 52916693
5-fluoro-1-[3-(hydroxymethyl)-1,4-dioxepan-5-yl]pyrimidine-2,4-dione
CID 101097973

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione (CID 712433) is 5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione is O=C1OCC[C@@H]1n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione?
The InChIKey is NRBFQWKKTTWGQQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H7FN2O4/c9-4-3-11(8(14)10-6(4)12)5-1-2-15-7(5)13/h3,5H,1-2H2,(H,10,12,14)/t5-/m0/s1.
What are the key properties of 5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione?
5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione has a molecular weight of 214.15 g/mol, XLogP of -0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 712433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).