2-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyridazin-3-one

C9H9F2N3O2 — CID 122269356

IUPAC2-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CC(F)(F)C1
InChIInChI=1S/C9H9F2N3O2/c10-9(11)5-13(6-9)8(16)4-14-7(15)2-1-3-12-14/h1-3H,4-6H2
InChIKeyRRQUEKVXMNESAG-UHFFFAOYSA-N
MW229.19 g/mol
LogP-0.28
Rot. Bonds2

About 2-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyridazin-3-one

2-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 122269356) has the molecular formula C9H9F2N3O2 and a molecular weight of 229.19 g/mol. Its IUPAC name is 2-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyridazin-3-one
PubChem CID122269356
Molecular FormulaC9H9F2N3O2
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC Name2-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CC(F)(F)C1
InChIInChI=1S/C9H9F2N3O2/c10-9(11)5-13(6-9)8(16)4-14-7(15)2-1-3-12-14/h1-3H,4-6H2
InChIKeyRRQUEKVXMNESAG-UHFFFAOYSA-N
XLogP-0.28
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyridazin-3-one (CID 122269356) is 2-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyridazin-3-one is O=C(Cn1ncccc1=O)N1CC(F)(F)C1.
What is the InChIKey of 2-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is RRQUEKVXMNESAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O2/c10-9(11)5-13(6-9)8(16)4-14-7(15)2-1-3-12-14/h1-3H,4-6H2.
What are the key properties of 2-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyridazin-3-one?
2-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 229.19 g/mol, XLogP of -0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 122269356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).