11-(2-fluorophenyl)-2-oxa-9-azaspiro[5.5]undecane

C15H20FNO — CID 79454348

IUPAC11-(2-fluorophenyl)-2-oxa-9-azaspiro[5.5]undecane
SMILESFc1ccccc1C1CNCCC12CCCOC2
InChIInChI=1S/C15H20FNO/c16-14-5-2-1-4-12(14)13-10-17-8-7-15(13)6-3-9-18-11-15/h1-2,4-5,13,17H,3,6-11H2
InChIKeySTPRNPUXBXVAQI-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.70
Rot. Bonds1

About 11-(2-fluorophenyl)-2-oxa-9-azaspiro[5.5]undecane

11-(2-fluorophenyl)-2-oxa-9-azaspiro[5.5]undecane (PubChem CID 79454348) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 11-(2-fluorophenyl)-2-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name11-(2-fluorophenyl)-2-oxa-9-azaspiro[5.5]undecane
PubChem CID79454348
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name11-(2-fluorophenyl)-2-oxa-9-azaspiro[5.5]undecane
SMILESFc1ccccc1C1CNCCC12CCCOC2
InChIInChI=1S/C15H20FNO/c16-14-5-2-1-4-12(14)13-10-17-8-7-15(13)6-3-9-18-11-15/h1-2,4-5,13,17H,3,6-11H2
InChIKeySTPRNPUXBXVAQI-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-(2-fluorophenyl)-2-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 11-(2-fluorophenyl)-2-oxa-9-azaspiro[5.5]undecane (CID 79454348) is 11-(2-fluorophenyl)-2-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 11-(2-fluorophenyl)-2-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 11-(2-fluorophenyl)-2-oxa-9-azaspiro[5.5]undecane is Fc1ccccc1C1CNCCC12CCCOC2.
What is the InChIKey of 11-(2-fluorophenyl)-2-oxa-9-azaspiro[5.5]undecane?
The InChIKey is STPRNPUXBXVAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c16-14-5-2-1-4-12(14)13-10-17-8-7-15(13)6-3-9-18-11-15/h1-2,4-5,13,17H,3,6-11H2.
What are the key properties of 11-(2-fluorophenyl)-2-oxa-9-azaspiro[5.5]undecane?
11-(2-fluorophenyl)-2-oxa-9-azaspiro[5.5]undecane has a molecular weight of 249.33 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-fluorophenyl)-2-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 79454348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).