9-(3,3-difluoroazetidin-1-yl)-3-propan-2-yl-3-azaspiro[5.5]undecane

C16H28F2N2 — CID 71230492

IUPAC9-(3,3-difluoroazetidin-1-yl)-3-propan-2-yl-3-azaspiro[5.5]undecane
SMILESCC(C)N1CCC2(CCC(N3CC(F)(F)C3)CC2)CC1
InChIInChI=1S/C16H28F2N2/c1-13(2)19-9-7-15(8-10-19)5-3-14(4-6-15)20-11-16(17,18)12-20/h13-14H,3-12H2,1-2H3
InChIKeyJQRKIUOLCUXNBV-UHFFFAOYSA-N
MW286.41 g/mol
LogP3.37
Rot. Bonds2

About 9-(3,3-difluoroazetidin-1-yl)-3-propan-2-yl-3-azaspiro[5.5]undecane

9-(3,3-difluoroazetidin-1-yl)-3-propan-2-yl-3-azaspiro[5.5]undecane (PubChem CID 71230492) has the molecular formula C16H28F2N2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 9-(3,3-difluoroazetidin-1-yl)-3-propan-2-yl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(3,3-difluoroazetidin-1-yl)-3-propan-2-yl-3-azaspiro[5.5]undecane
PubChem CID71230492
Molecular FormulaC16H28F2N2
Molecular Weight286.41 g/mol
Exact Mass286.22
IUPAC Name9-(3,3-difluoroazetidin-1-yl)-3-propan-2-yl-3-azaspiro[5.5]undecane
SMILESCC(C)N1CCC2(CCC(N3CC(F)(F)C3)CC2)CC1
InChIInChI=1S/C16H28F2N2/c1-13(2)19-9-7-15(8-10-19)5-3-14(4-6-15)20-11-16(17,18)12-20/h13-14H,3-12H2,1-2H3
InChIKeyJQRKIUOLCUXNBV-UHFFFAOYSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 53.37
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-propan-2-yl-3-azaspiro[5.5]undecane?
The IUPAC name of 9-(3,3-difluoroazetidin-1-yl)-3-propan-2-yl-3-azaspiro[5.5]undecane (CID 71230492) is 9-(3,3-difluoroazetidin-1-yl)-3-propan-2-yl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(3,3-difluoroazetidin-1-yl)-3-propan-2-yl-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-(3,3-difluoroazetidin-1-yl)-3-propan-2-yl-3-azaspiro[5.5]undecane is CC(C)N1CCC2(CCC(N3CC(F)(F)C3)CC2)CC1.
What is the InChIKey of 9-(3,3-difluoroazetidin-1-yl)-3-propan-2-yl-3-azaspiro[5.5]undecane?
The InChIKey is JQRKIUOLCUXNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2/c1-13(2)19-9-7-15(8-10-19)5-3-14(4-6-15)20-11-16(17,18)12-20/h13-14H,3-12H2,1-2H3.
What are the key properties of 9-(3,3-difluoroazetidin-1-yl)-3-propan-2-yl-3-azaspiro[5.5]undecane?
9-(3,3-difluoroazetidin-1-yl)-3-propan-2-yl-3-azaspiro[5.5]undecane has a molecular weight of 286.41 g/mol, XLogP of 3.37, 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-propan-2-yl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 71230492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).