1-(9-azabicyclo[3.3.1]nonan-3-yl)-5-fluoropentan-1-one

C13H22FNO — CID 171938703

IUPAC1-(9-azabicyclo[3.3.1]nonan-3-yl)-5-fluoropentan-1-one
SMILESO=C(CCCCF)C1CC2CCCC(C1)N2
InChIInChI=1S/C13H22FNO/c14-7-2-1-6-13(16)10-8-11-4-3-5-12(9-10)15-11/h10-12,15H,1-9H2
InChIKeyNAOYZIZKSLNCRJ-UHFFFAOYSA-N
MW227.32 g/mol
LogP2.62
Rot. Bonds5

About 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5-fluoropentan-1-one

1-(9-azabicyclo[3.3.1]nonan-3-yl)-5-fluoropentan-1-one (PubChem CID 171938703) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5-fluoropentan-1-one.

Molecular Properties

Compound Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-5-fluoropentan-1-one
PubChem CID171938703
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-5-fluoropentan-1-one
SMILESO=C(CCCCF)C1CC2CCCC(C1)N2
InChIInChI=1S/C13H22FNO/c14-7-2-1-6-13(16)10-8-11-4-3-5-12(9-10)15-11/h10-12,15H,1-9H2
InChIKeyNAOYZIZKSLNCRJ-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5-fluoropentan-1-one?
The IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5-fluoropentan-1-one (CID 171938703) is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5-fluoropentan-1-one.
What is the SMILES notation for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5-fluoropentan-1-one?
The canonical SMILES for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5-fluoropentan-1-one is O=C(CCCCF)C1CC2CCCC(C1)N2.
What is the InChIKey of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5-fluoropentan-1-one?
The InChIKey is NAOYZIZKSLNCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO/c14-7-2-1-6-13(16)10-8-11-4-3-5-12(9-10)15-11/h10-12,15H,1-9H2.
What are the key properties of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5-fluoropentan-1-one?
1-(9-azabicyclo[3.3.1]nonan-3-yl)-5-fluoropentan-1-one has a molecular weight of 227.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-5-fluoropentan-1-one is sourced from PubChem (CID 171938703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).