3-fluoro-5-hydroxypyran-4-one

C5H3FO3 — CID 144616810

IUPAC3-fluoro-5-hydroxypyran-4-one
SMILESO=c1c(O)cocc1F
InChIInChI=1S/C5H3FO3/c6-3-1-9-2-4(7)5(3)8/h1-2,7H
InChIKeyLOTUCPMRMBYRCR-UHFFFAOYSA-N
MW130.07 g/mol
LogP0.48
Rot. Bonds

About 3-fluoro-5-hydroxypyran-4-one

3-fluoro-5-hydroxypyran-4-one (PubChem CID 144616810) has the molecular formula C5H3FO3 and a molecular weight of 130.07 g/mol. Its IUPAC name is 3-fluoro-5-hydroxypyran-4-one.

Molecular Properties

Compound Name3-fluoro-5-hydroxypyran-4-one
PubChem CID144616810
Molecular FormulaC5H3FO3
Molecular Weight130.07 g/mol
Exact Mass130.01
IUPAC Name3-fluoro-5-hydroxypyran-4-one
SMILESO=c1c(O)cocc1F
InChIInChI=1S/C5H3FO3/c6-3-1-9-2-4(7)5(3)8/h1-2,7H
InChIKeyLOTUCPMRMBYRCR-UHFFFAOYSA-N
XLogP0.48
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.07
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-hydroxypyran-4-one?
The IUPAC name of 3-fluoro-5-hydroxypyran-4-one (CID 144616810) is 3-fluoro-5-hydroxypyran-4-one.
What is the SMILES notation for 3-fluoro-5-hydroxypyran-4-one?
The canonical SMILES for 3-fluoro-5-hydroxypyran-4-one is O=c1c(O)cocc1F.
What is the InChIKey of 3-fluoro-5-hydroxypyran-4-one?
The InChIKey is LOTUCPMRMBYRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FO3/c6-3-1-9-2-4(7)5(3)8/h1-2,7H.
What are the key properties of 3-fluoro-5-hydroxypyran-4-one?
3-fluoro-5-hydroxypyran-4-one has a molecular weight of 130.07 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-hydroxypyran-4-one is sourced from PubChem (CID 144616810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).