3-(3-fluoropropoxy)-1-oxa-8-azaspiro[4.5]decane

C11H20FNO2 — CID 102930244

IUPAC3-(3-fluoropropoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESFCCCOC1COC2(CCNCC2)C1
InChIInChI=1S/C11H20FNO2/c12-4-1-7-14-10-8-11(15-9-10)2-5-13-6-3-11/h10,13H,1-9H2
InChIKeyCLTHNMIWWUWSJN-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.27
Rot. Bonds4

About 3-(3-fluoropropoxy)-1-oxa-8-azaspiro[4.5]decane

3-(3-fluoropropoxy)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930244) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-(3-fluoropropoxy)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(3-fluoropropoxy)-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930244
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name3-(3-fluoropropoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESFCCCOC1COC2(CCNCC2)C1
InChIInChI=1S/C11H20FNO2/c12-4-1-7-14-10-8-11(15-9-10)2-5-13-6-3-11/h10,13H,1-9H2
InChIKeyCLTHNMIWWUWSJN-UHFFFAOYSA-N
XLogP1.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropoxy)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(3-fluoropropoxy)-1-oxa-8-azaspiro[4.5]decane (CID 102930244) is 3-(3-fluoropropoxy)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(3-fluoropropoxy)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(3-fluoropropoxy)-1-oxa-8-azaspiro[4.5]decane is FCCCOC1COC2(CCNCC2)C1.
What is the InChIKey of 3-(3-fluoropropoxy)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is CLTHNMIWWUWSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c12-4-1-7-14-10-8-11(15-9-10)2-5-13-6-3-11/h10,13H,1-9H2.
What are the key properties of 3-(3-fluoropropoxy)-1-oxa-8-azaspiro[4.5]decane?
3-(3-fluoropropoxy)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 217.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropoxy)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).