3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one

C9H11F2N3O — CID 163237891

IUPAC3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(C2CNCCC2(F)F)n[nH]1
InChIInChI=1S/C9H11F2N3O/c10-9(11)3-4-12-5-6(9)7-1-2-8(15)14-13-7/h1-2,6,12H,3-5H2,(H,14,15)
InChIKeyPTZUPPGHOXVQBW-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.48
Rot. Bonds1

About 3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one

3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one (PubChem CID 163237891) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one
PubChem CID163237891
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(C2CNCCC2(F)F)n[nH]1
InChIInChI=1S/C9H11F2N3O/c10-9(11)3-4-12-5-6(9)7-1-2-8(15)14-13-7/h1-2,6,12H,3-5H2,(H,14,15)
InChIKeyPTZUPPGHOXVQBW-UHFFFAOYSA-N
XLogP0.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one (CID 163237891) is 3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one is O=c1ccc(C2CNCCC2(F)F)n[nH]1.
What is the InChIKey of 3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one?
The InChIKey is PTZUPPGHOXVQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c10-9(11)3-4-12-5-6(9)7-1-2-8(15)14-13-7/h1-2,6,12H,3-5H2,(H,14,15).
What are the key properties of 3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one?
3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one has a molecular weight of 215.20 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 163237891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).