2-(difluoromethyl)-5-hydroxypyran-4-one

C6H4F2O3 — CID 59818298

IUPAC2-(difluoromethyl)-5-hydroxypyran-4-one
SMILESO=c1cc(C(F)F)occ1O
InChIInChI=1S/C6H4F2O3/c7-6(8)5-1-3(9)4(10)2-11-5/h1-2,6,10H
InChIKeyWZBYHKUJTFBKTJ-UHFFFAOYSA-N
MW162.09 g/mol
LogP1.28
Rot. Bonds1

About 2-(difluoromethyl)-5-hydroxypyran-4-one

2-(difluoromethyl)-5-hydroxypyran-4-one (PubChem CID 59818298) has the molecular formula C6H4F2O3 and a molecular weight of 162.09 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-5-hydroxypyran-4-one
PubChem CID59818298
Molecular FormulaC6H4F2O3
Molecular Weight162.09 g/mol
Exact Mass162.01
IUPAC Name2-(difluoromethyl)-5-hydroxypyran-4-one
SMILESO=c1cc(C(F)F)occ1O
InChIInChI=1S/C6H4F2O3/c7-6(8)5-1-3(9)4(10)2-11-5/h1-2,6,10H
InChIKeyWZBYHKUJTFBKTJ-UHFFFAOYSA-N
XLogP1.28
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.09
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-hydroxypyran-4-one?
The IUPAC name of 2-(difluoromethyl)-5-hydroxypyran-4-one (CID 59818298) is 2-(difluoromethyl)-5-hydroxypyran-4-one.
What is the SMILES notation for 2-(difluoromethyl)-5-hydroxypyran-4-one?
The canonical SMILES for 2-(difluoromethyl)-5-hydroxypyran-4-one is O=c1cc(C(F)F)occ1O.
What is the InChIKey of 2-(difluoromethyl)-5-hydroxypyran-4-one?
The InChIKey is WZBYHKUJTFBKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2O3/c7-6(8)5-1-3(9)4(10)2-11-5/h1-2,6,10H.
What are the key properties of 2-(difluoromethyl)-5-hydroxypyran-4-one?
2-(difluoromethyl)-5-hydroxypyran-4-one has a molecular weight of 162.09 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-hydroxypyran-4-one is sourced from PubChem (CID 59818298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).