3-(5-fluoropentyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol

C14H26FNO — CID 171952254

IUPAC3-(5-fluoropentyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCN1C2CCCC1CC(O)(CCCCCF)C2
InChIInChI=1S/C14H26FNO/c1-16-12-6-5-7-13(16)11-14(17,10-12)8-3-2-4-9-15/h12-13,17H,2-11H2,1H3
InChIKeyQTKDYEVIUKCHCV-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.89
Rot. Bonds5

About 3-(5-fluoropentyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol

3-(5-fluoropentyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171952254) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is 3-(5-fluoropentyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(5-fluoropentyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171952254
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC Name3-(5-fluoropentyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCN1C2CCCC1CC(O)(CCCCCF)C2
InChIInChI=1S/C14H26FNO/c1-16-12-6-5-7-13(16)11-14(17,10-12)8-3-2-4-9-15/h12-13,17H,2-11H2,1H3
InChIKeyQTKDYEVIUKCHCV-UHFFFAOYSA-N
XLogP2.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.89
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 3-(5-fluoropentyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(5-fluoropentyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171952254) is 3-(5-fluoropentyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(5-fluoropentyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(5-fluoropentyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is CN1C2CCCC1CC(O)(CCCCCF)C2.
What is the InChIKey of 3-(5-fluoropentyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is QTKDYEVIUKCHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO/c1-16-12-6-5-7-13(16)11-14(17,10-12)8-3-2-4-9-15/h12-13,17H,2-11H2,1H3.
What are the key properties of 3-(5-fluoropentyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
3-(5-fluoropentyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 243.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoropentyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171952254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).