1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one

C7H11F2NO2 — CID 126989694

IUPAC1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CC(F)(F)C1
InChIInChI=1S/C7H11F2NO2/c1-5(12-2)6(11)10-3-7(8,9)4-10/h5H,3-4H2,1-2H3
InChIKeyALIYCOGOMAALLF-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.50
Rot. Bonds2

About 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one

1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one (PubChem CID 126989694) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one
PubChem CID126989694
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CC(F)(F)C1
InChIInChI=1S/C7H11F2NO2/c1-5(12-2)6(11)10-3-7(8,9)4-10/h5H,3-4H2,1-2H3
InChIKeyALIYCOGOMAALLF-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one?
The IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one (CID 126989694) is 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one.
What is the SMILES notation for 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one?
The canonical SMILES for 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one is COC(C)C(=O)N1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one?
The InChIKey is ALIYCOGOMAALLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-5(12-2)6(11)10-3-7(8,9)4-10/h5H,3-4H2,1-2H3.
What are the key properties of 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one?
1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one has a molecular weight of 179.17 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroazetidin-1-yl)-2-methoxypropan-1-one is sourced from PubChem (CID 126989694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).