2-(3-fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane

C13H24FNO — CID 126792499

IUPAC2-(3-fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane
SMILESCC(F)CCN1CCCC2(CCOCC2)C1
InChIInChI=1S/C13H24FNO/c1-12(14)3-8-15-7-2-4-13(11-15)5-9-16-10-6-13/h12H,2-11H2,1H3
InChIKeyCGJLWDAXNWXRAY-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.63
Rot. Bonds3

About 2-(3-fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane

2-(3-fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane (PubChem CID 126792499) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 2-(3-fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(3-fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane
PubChem CID126792499
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name2-(3-fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane
SMILESCC(F)CCN1CCCC2(CCOCC2)C1
InChIInChI=1S/C13H24FNO/c1-12(14)3-8-15-7-2-4-13(11-15)5-9-16-10-6-13/h12H,2-11H2,1H3
InChIKeyCGJLWDAXNWXRAY-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane?
The IUPAC name of 2-(3-fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane (CID 126792499) is 2-(3-fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane.
What is the SMILES notation for 2-(3-fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane?
The canonical SMILES for 2-(3-fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane is CC(F)CCN1CCCC2(CCOCC2)C1.
What is the InChIKey of 2-(3-fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane?
The InChIKey is CGJLWDAXNWXRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-12(14)3-8-15-7-2-4-13(11-15)5-9-16-10-6-13/h12H,2-11H2,1H3.
What are the key properties of 2-(3-fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane?
2-(3-fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane has a molecular weight of 229.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorobutyl)-9-oxa-2-azaspiro[5.5]undecane is sourced from PubChem (CID 126792499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).