1-(3,3-difluoroazetidin-1-yl)-2-(methylamino)ethanone

C6H10F2N2O — CID 121200807

IUPAC1-(3,3-difluoroazetidin-1-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)N1CC(F)(F)C1
InChIInChI=1S/C6H10F2N2O/c1-9-2-5(11)10-3-6(7,8)4-10/h9H,2-4H2,1H3
InChIKeyAXJRYWMDPFBNJY-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.32
Rot. Bonds2

About 1-(3,3-difluoroazetidin-1-yl)-2-(methylamino)ethanone

1-(3,3-difluoroazetidin-1-yl)-2-(methylamino)ethanone (PubChem CID 121200807) has the molecular formula C6H10F2N2O and a molecular weight of 164.16 g/mol. Its IUPAC name is 1-(3,3-difluoroazetidin-1-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3,3-difluoroazetidin-1-yl)-2-(methylamino)ethanone
PubChem CID121200807
Molecular FormulaC6H10F2N2O
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC Name1-(3,3-difluoroazetidin-1-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)N1CC(F)(F)C1
InChIInChI=1S/C6H10F2N2O/c1-9-2-5(11)10-3-6(7,8)4-10/h9H,2-4H2,1H3
InChIKeyAXJRYWMDPFBNJY-UHFFFAOYSA-N
XLogP-0.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-(methylamino)ethanone (CID 121200807) is 1-(3,3-difluoroazetidin-1-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3,3-difluoroazetidin-1-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3,3-difluoroazetidin-1-yl)-2-(methylamino)ethanone is CNCC(=O)N1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoroazetidin-1-yl)-2-(methylamino)ethanone?
The InChIKey is AXJRYWMDPFBNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O/c1-9-2-5(11)10-3-6(7,8)4-10/h9H,2-4H2,1H3.
What are the key properties of 1-(3,3-difluoroazetidin-1-yl)-2-(methylamino)ethanone?
1-(3,3-difluoroazetidin-1-yl)-2-(methylamino)ethanone has a molecular weight of 164.16 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroazetidin-1-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 121200807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).