1-(9-azabicyclo[3.3.1]nonan-3-yl)-6-fluorohexan-1-one

C14H24FNO — CID 171938023

IUPAC1-(9-azabicyclo[3.3.1]nonan-3-yl)-6-fluorohexan-1-one
SMILESO=C(CCCCCF)C1CC2CCCC(C1)N2
InChIInChI=1S/C14H24FNO/c15-8-3-1-2-7-14(17)11-9-12-5-4-6-13(10-11)16-12/h11-13,16H,1-10H2
InChIKeyNAUSEIPTRLSLQR-UHFFFAOYSA-N
MW241.35 g/mol
LogP3.01
Rot. Bonds6

About 1-(9-azabicyclo[3.3.1]nonan-3-yl)-6-fluorohexan-1-one

1-(9-azabicyclo[3.3.1]nonan-3-yl)-6-fluorohexan-1-one (PubChem CID 171938023) has the molecular formula C14H24FNO and a molecular weight of 241.35 g/mol. Its IUPAC name is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-6-fluorohexan-1-one.

Molecular Properties

Compound Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-6-fluorohexan-1-one
PubChem CID171938023
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-6-fluorohexan-1-one
SMILESO=C(CCCCCF)C1CC2CCCC(C1)N2
InChIInChI=1S/C14H24FNO/c15-8-3-1-2-7-14(17)11-9-12-5-4-6-13(10-11)16-12/h11-13,16H,1-10H2
InChIKeyNAUSEIPTRLSLQR-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 53.01
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)-6-fluorohexan-1-one?
The IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-6-fluorohexan-1-one (CID 171938023) is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-6-fluorohexan-1-one.
What is the SMILES notation for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-6-fluorohexan-1-one?
The canonical SMILES for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-6-fluorohexan-1-one is O=C(CCCCCF)C1CC2CCCC(C1)N2.
What is the InChIKey of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-6-fluorohexan-1-one?
The InChIKey is NAUSEIPTRLSLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO/c15-8-3-1-2-7-14(17)11-9-12-5-4-6-13(10-11)16-12/h11-13,16H,1-10H2.
What are the key properties of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-6-fluorohexan-1-one?
1-(9-azabicyclo[3.3.1]nonan-3-yl)-6-fluorohexan-1-one has a molecular weight of 241.35 g/mol, XLogP of 3.01, 6 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)-6-fluorohexan-1-one is sourced from PubChem (CID 171938023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).