1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]propan-2-one

C11H12F2N2O — CID 118396879

IUPAC1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]propan-2-one
SMILESCC(=O)Cc1ccc(N2CC(F)(F)C2)nc1
InChIInChI=1S/C11H12F2N2O/c1-8(16)4-9-2-3-10(14-5-9)15-6-11(12,13)7-15/h2-3,5H,4,6-7H2,1H3
InChIKeyPZKYWQIUWHYYPX-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.67
Rot. Bonds3

About 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]propan-2-one

1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]propan-2-one (PubChem CID 118396879) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]propan-2-one
PubChem CID118396879
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]propan-2-one
SMILESCC(=O)Cc1ccc(N2CC(F)(F)C2)nc1
InChIInChI=1S/C11H12F2N2O/c1-8(16)4-9-2-3-10(14-5-9)15-6-11(12,13)7-15/h2-3,5H,4,6-7H2,1H3
InChIKeyPZKYWQIUWHYYPX-UHFFFAOYSA-N
XLogP1.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]propan-2-one?
The IUPAC name of 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]propan-2-one (CID 118396879) is 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]propan-2-one?
The canonical SMILES for 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]propan-2-one is CC(=O)Cc1ccc(N2CC(F)(F)C2)nc1.
What is the InChIKey of 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]propan-2-one?
The InChIKey is PZKYWQIUWHYYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-8(16)4-9-2-3-10(14-5-9)15-6-11(12,13)7-15/h2-3,5H,4,6-7H2,1H3.
What are the key properties of 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]propan-2-one?
1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]propan-2-one has a molecular weight of 226.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]propan-2-one is sourced from PubChem (CID 118396879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).