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

C15H26F2N2 — CID 67478599

IUPAC9-(3,3-difluoroazetidin-1-yl)-3-ethyl-3-azaspiro[5.5]undecane
SMILESCCN1CCC2(CCC(N3CC(F)(F)C3)CC2)CC1
InChIInChI=1S/C15H26F2N2/c1-2-18-9-7-14(8-10-18)5-3-13(4-6-14)19-11-15(16,17)12-19/h13H,2-12H2,1H3
InChIKeyWGQSSVICDCWULR-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.98
Rot. Bonds2

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

9-(3,3-difluoroazetidin-1-yl)-3-ethyl-3-azaspiro[5.5]undecane (PubChem CID 67478599) has the molecular formula C15H26F2N2 and a molecular weight of 272.38 g/mol. Its IUPAC name is 9-(3,3-difluoroazetidin-1-yl)-3-ethyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(3,3-difluoroazetidin-1-yl)-3-ethyl-3-azaspiro[5.5]undecane
PubChem CID67478599
Molecular FormulaC15H26F2N2
Molecular Weight272.38 g/mol
Exact Mass272.21
IUPAC Name9-(3,3-difluoroazetidin-1-yl)-3-ethyl-3-azaspiro[5.5]undecane
SMILESCCN1CCC2(CCC(N3CC(F)(F)C3)CC2)CC1
InChIInChI=1S/C15H26F2N2/c1-2-18-9-7-14(8-10-18)5-3-13(4-6-14)19-11-15(16,17)12-19/h13H,2-12H2,1H3
InChIKeyWGQSSVICDCWULR-UHFFFAOYSA-N
XLogP2.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.98
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-ethyl-3-azaspiro[5.5]undecane?
The IUPAC name of 9-(3,3-difluoroazetidin-1-yl)-3-ethyl-3-azaspiro[5.5]undecane (CID 67478599) is 9-(3,3-difluoroazetidin-1-yl)-3-ethyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(3,3-difluoroazetidin-1-yl)-3-ethyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-(3,3-difluoroazetidin-1-yl)-3-ethyl-3-azaspiro[5.5]undecane is CCN1CCC2(CCC(N3CC(F)(F)C3)CC2)CC1.
What is the InChIKey of 9-(3,3-difluoroazetidin-1-yl)-3-ethyl-3-azaspiro[5.5]undecane?
The InChIKey is WGQSSVICDCWULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2/c1-2-18-9-7-14(8-10-18)5-3-13(4-6-14)19-11-15(16,17)12-19/h13H,2-12H2,1H3.
What are the key properties of 9-(3,3-difluoroazetidin-1-yl)-3-ethyl-3-azaspiro[5.5]undecane?
9-(3,3-difluoroazetidin-1-yl)-3-ethyl-3-azaspiro[5.5]undecane has a molecular weight of 272.38 g/mol, XLogP of 2.98, 2 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-ethyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 67478599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).