azetidin-3-yl-(3,3-difluoroazetidin-1-yl)methanone

C7H10F2N2O — CID 121200809

IUPACazetidin-3-yl-(3,3-difluoroazetidin-1-yl)methanone
SMILESO=C(C1CNC1)N1CC(F)(F)C1
InChIInChI=1S/C7H10F2N2O/c8-7(9)3-11(4-7)6(12)5-1-10-2-5/h5,10H,1-4H2
InChIKeyCLOVKMVCWWKEHT-UHFFFAOYSA-N
MW176.17 g/mol
LogP-0.32
Rot. Bonds1

About azetidin-3-yl-(3,3-difluoroazetidin-1-yl)methanone

azetidin-3-yl-(3,3-difluoroazetidin-1-yl)methanone (PubChem CID 121200809) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is azetidin-3-yl-(3,3-difluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl-(3,3-difluoroazetidin-1-yl)methanone
PubChem CID121200809
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Nameazetidin-3-yl-(3,3-difluoroazetidin-1-yl)methanone
SMILESO=C(C1CNC1)N1CC(F)(F)C1
InChIInChI=1S/C7H10F2N2O/c8-7(9)3-11(4-7)6(12)5-1-10-2-5/h5,10H,1-4H2
InChIKeyCLOVKMVCWWKEHT-UHFFFAOYSA-N
XLogP-0.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
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 azetidin-3-yl-(3,3-difluoroazetidin-1-yl)methanone?
The IUPAC name of azetidin-3-yl-(3,3-difluoroazetidin-1-yl)methanone (CID 121200809) is azetidin-3-yl-(3,3-difluoroazetidin-1-yl)methanone.
What is the SMILES notation for azetidin-3-yl-(3,3-difluoroazetidin-1-yl)methanone?
The canonical SMILES for azetidin-3-yl-(3,3-difluoroazetidin-1-yl)methanone is O=C(C1CNC1)N1CC(F)(F)C1.
What is the InChIKey of azetidin-3-yl-(3,3-difluoroazetidin-1-yl)methanone?
The InChIKey is CLOVKMVCWWKEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c8-7(9)3-11(4-7)6(12)5-1-10-2-5/h5,10H,1-4H2.
What are the key properties of azetidin-3-yl-(3,3-difluoroazetidin-1-yl)methanone?
azetidin-3-yl-(3,3-difluoroazetidin-1-yl)methanone has a molecular weight of 176.17 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(3,3-difluoroazetidin-1-yl)methanone is sourced from PubChem (CID 121200809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).