7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C₁₄H₁₈FNO₂ — CID 171959249

About 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171959249) has the molecular formula C₁₄H₁₈FNO₂ and a molecular weight of 251.30 g/mol. Its IUPAC name is 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

• Compound Name: 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
• PubChem CID: 171959249
• Molecular Formula: C₁₄H₁₈FNO₂
• Molecular Weight: 251.30 g/mol
• Exact Mass: 251.13
• IUPAC Name: 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
• SMILES: Cc1ccc(F)cc1C1(O)CC2COCC(C1)N2
• InChI: InChI=1S/C14H18FNO2/c1-9-2-3-10(15)4-13(9)14(17)5-11-7-18-8-12(6-14)16-11/h2-4,11-12,16-17H,5-8H2,1H3
• InChIKey: KOPWVHUQDYIZEG-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	251.30
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?

The IUPAC name of 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171959249) is 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

What is the SMILES notation for 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?

The canonical SMILES for 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is Cc1ccc(F)cc1C1(O)CC2COCC(C1)N2.

What is the InChIKey of 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?

The InChIKey is KOPWVHUQDYIZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-2-3-10(15)4-13(9)14(17)5-11-7-18-8-12(6-14)16-11/h2-4,11-12,16-17H,5-8H2,1H3.

What are the key properties of 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?

7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 251.30 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171959249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171959249 — identifiers, structure, computed properties (public domain)

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