3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridazin-6-one

C10H11F4N3O — CID 175920255

IUPAC3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1cc(C(F)(F)F)c(CCN2CC(F)C2)n[nH]1
InChIInChI=1S/C10H11F4N3O/c11-6-4-17(5-6)2-1-8-7(10(12,13)14)3-9(18)16-15-8/h3,6H,1-2,4-5H2,(H,16,18)
InChIKeyQQJRVAZMCZNEER-UHFFFAOYSA-N
MW265.21 g/mol
LogP0.98
Rot. Bonds3

About 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridazin-6-one

3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 175920255) has the molecular formula C10H11F4N3O and a molecular weight of 265.21 g/mol. Its IUPAC name is 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID175920255
Molecular FormulaC10H11F4N3O
Molecular Weight265.21 g/mol
Exact Mass265.08
IUPAC Name3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1cc(C(F)(F)F)c(CCN2CC(F)C2)n[nH]1
InChIInChI=1S/C10H11F4N3O/c11-6-4-17(5-6)2-1-8-7(10(12,13)14)3-9(18)16-15-8/h3,6H,1-2,4-5H2,(H,16,18)
InChIKeyQQJRVAZMCZNEER-UHFFFAOYSA-N
XLogP0.98
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridazin-6-one (CID 175920255) is 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridazin-6-one is O=c1cc(C(F)(F)F)c(CCN2CC(F)C2)n[nH]1.
What is the InChIKey of 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is QQJRVAZMCZNEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N3O/c11-6-4-17(5-6)2-1-8-7(10(12,13)14)3-9(18)16-15-8/h3,6H,1-2,4-5H2,(H,16,18).
What are the key properties of 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridazin-6-one?
3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 265.21 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 175920255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).