9-(3,3-difluoroazetidin-1-yl)-3-methyl-3-azaspiro[5.5]undecane

C14H24F2N2 — CID 70825430

IUPAC9-(3,3-difluoroazetidin-1-yl)-3-methyl-3-azaspiro[5.5]undecane
SMILESCN1CCC2(CCC(N3CC(F)(F)C3)CC2)CC1
InChIInChI=1S/C14H24F2N2/c1-17-8-6-13(7-9-17)4-2-12(3-5-13)18-10-14(15,16)11-18/h12H,2-11H2,1H3
InChIKeyPUOXTLKKDHXEBV-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.59
Rot. Bonds1

About 9-(3,3-difluoroazetidin-1-yl)-3-methyl-3-azaspiro[5.5]undecane

9-(3,3-difluoroazetidin-1-yl)-3-methyl-3-azaspiro[5.5]undecane (PubChem CID 70825430) has the molecular formula C14H24F2N2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 9-(3,3-difluoroazetidin-1-yl)-3-methyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(3,3-difluoroazetidin-1-yl)-3-methyl-3-azaspiro[5.5]undecane
PubChem CID70825430
Molecular FormulaC14H24F2N2
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name9-(3,3-difluoroazetidin-1-yl)-3-methyl-3-azaspiro[5.5]undecane
SMILESCN1CCC2(CCC(N3CC(F)(F)C3)CC2)CC1
InChIInChI=1S/C14H24F2N2/c1-17-8-6-13(7-9-17)4-2-12(3-5-13)18-10-14(15,16)11-18/h12H,2-11H2,1H3
InChIKeyPUOXTLKKDHXEBV-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(3,3-difluoroazetidin-1-yl)-3-methyl-3-azaspiro[5.5]undecane?
The IUPAC name of 9-(3,3-difluoroazetidin-1-yl)-3-methyl-3-azaspiro[5.5]undecane (CID 70825430) is 9-(3,3-difluoroazetidin-1-yl)-3-methyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(3,3-difluoroazetidin-1-yl)-3-methyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-(3,3-difluoroazetidin-1-yl)-3-methyl-3-azaspiro[5.5]undecane is CN1CCC2(CCC(N3CC(F)(F)C3)CC2)CC1.
What is the InChIKey of 9-(3,3-difluoroazetidin-1-yl)-3-methyl-3-azaspiro[5.5]undecane?
The InChIKey is PUOXTLKKDHXEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2/c1-17-8-6-13(7-9-17)4-2-12(3-5-13)18-10-14(15,16)11-18/h12H,2-11H2,1H3.
What are the key properties of 9-(3,3-difluoroazetidin-1-yl)-3-methyl-3-azaspiro[5.5]undecane?
9-(3,3-difluoroazetidin-1-yl)-3-methyl-3-azaspiro[5.5]undecane has a molecular weight of 258.36 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,3-difluoroazetidin-1-yl)-3-methyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 70825430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).