3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoroazetidine

C11H18FNO2 — CID 112563431

IUPAC3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoroazetidine
SMILESFC1(C2CCOC3(CCOC3)C2)CNC1
InChIInChI=1S/C11H18FNO2/c12-11(6-13-7-11)9-1-3-15-10(5-9)2-4-14-8-10/h9,13H,1-8H2
InChIKeySSPPVIKIQQEVBG-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.88
Rot. Bonds1

About 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoroazetidine

3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoroazetidine (PubChem CID 112563431) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoroazetidine.

Molecular Properties

Compound Name3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoroazetidine
PubChem CID112563431
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoroazetidine
SMILESFC1(C2CCOC3(CCOC3)C2)CNC1
InChIInChI=1S/C11H18FNO2/c12-11(6-13-7-11)9-1-3-15-10(5-9)2-4-14-8-10/h9,13H,1-8H2
InChIKeySSPPVIKIQQEVBG-UHFFFAOYSA-N
XLogP0.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoroazetidine?
The IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoroazetidine (CID 112563431) is 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoroazetidine.
What is the SMILES notation for 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoroazetidine?
The canonical SMILES for 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoroazetidine is FC1(C2CCOC3(CCOC3)C2)CNC1.
What is the InChIKey of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoroazetidine?
The InChIKey is SSPPVIKIQQEVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c12-11(6-13-7-11)9-1-3-15-10(5-9)2-4-14-8-10/h9,13H,1-8H2.
What are the key properties of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoroazetidine?
3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoroazetidine has a molecular weight of 215.27 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoroazetidine is sourced from PubChem (CID 112563431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).