3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)azetidine

C11H18FNO — CID 112563581

IUPAC3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)azetidine
SMILESFC1(C2CCOC3(CCC3)C2)CNC1
InChIInChI=1S/C11H18FNO/c12-11(7-13-8-11)9-2-5-14-10(6-9)3-1-4-10/h9,13H,1-8H2
InChIKeyXFUXQPVVZRLAOU-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.65
Rot. Bonds1

About 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)azetidine

3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)azetidine (PubChem CID 112563581) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)azetidine
PubChem CID112563581
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)azetidine
SMILESFC1(C2CCOC3(CCC3)C2)CNC1
InChIInChI=1S/C11H18FNO/c12-11(7-13-8-11)9-2-5-14-10(6-9)3-1-4-10/h9,13H,1-8H2
InChIKeyXFUXQPVVZRLAOU-UHFFFAOYSA-N
XLogP1.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)azetidine?
The IUPAC name of 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)azetidine (CID 112563581) is 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)azetidine.
What is the SMILES notation for 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)azetidine?
The canonical SMILES for 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)azetidine is FC1(C2CCOC3(CCC3)C2)CNC1.
What is the InChIKey of 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)azetidine?
The InChIKey is XFUXQPVVZRLAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c12-11(7-13-8-11)9-2-5-14-10(6-9)3-1-4-10/h9,13H,1-8H2.
What are the key properties of 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)azetidine?
3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)azetidine has a molecular weight of 199.27 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)azetidine is sourced from PubChem (CID 112563581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).