3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluoroazetidine

C12H20FNO2 — CID 112563558

IUPAC3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluoroazetidine
SMILESFC1(C2CCOC3(CCOCC3)C2)CNC1
InChIInChI=1S/C12H20FNO2/c13-12(8-14-9-12)10-1-4-16-11(7-10)2-5-15-6-3-11/h10,14H,1-9H2
InChIKeyDYUSDUZKSCOVMB-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.27
Rot. Bonds1

About 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluoroazetidine

3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluoroazetidine (PubChem CID 112563558) has the molecular formula C12H20FNO2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluoroazetidine.

Molecular Properties

Compound Name3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluoroazetidine
PubChem CID112563558
Molecular FormulaC12H20FNO2
Molecular Weight229.29 g/mol
Exact Mass229.15
IUPAC Name3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluoroazetidine
SMILESFC1(C2CCOC3(CCOCC3)C2)CNC1
InChIInChI=1S/C12H20FNO2/c13-12(8-14-9-12)10-1-4-16-11(7-10)2-5-15-6-3-11/h10,14H,1-9H2
InChIKeyDYUSDUZKSCOVMB-UHFFFAOYSA-N
XLogP1.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluoroazetidine?
The IUPAC name of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluoroazetidine (CID 112563558) is 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluoroazetidine.
What is the SMILES notation for 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluoroazetidine?
The canonical SMILES for 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluoroazetidine is FC1(C2CCOC3(CCOCC3)C2)CNC1.
What is the InChIKey of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluoroazetidine?
The InChIKey is DYUSDUZKSCOVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO2/c13-12(8-14-9-12)10-1-4-16-11(7-10)2-5-15-6-3-11/h10,14H,1-9H2.
What are the key properties of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluoroazetidine?
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluoroazetidine has a molecular weight of 229.29 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluoroazetidine is sourced from PubChem (CID 112563558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).