(2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium

C₁₆H₂₅FNO₂+ — CID 2184520

About (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium

(2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium (PubChem CID 2184520) has the molecular formula C₁₆H₂₅FNO₂+ and a molecular weight of 282.38 g/mol. Its IUPAC name is (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium.

Molecular Properties

• Compound Name: (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium
• PubChem CID: 2184520
• Molecular Formula: C₁₆H₂₅FNO₂+
• Molecular Weight: 282.38 g/mol
• Exact Mass: 282.19
• IUPAC Name: (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium
• SMILES: C[C@@H]1C[NH+](CCCCOc2ccc(F)cc2)C[C@H](C)O1
• InChI: InChI=1S/C16H24FNO2/c1-13-11-18(12-14(2)20-13)9-3-4-10-19-16-7-5-15(17)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3/p+1/t13-,14+
• InChIKey: GQHHYJDZVGBDKK-OKILXGFUSA-O
• XLogP: 1.68
• TPSA: 22.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.38
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium?

The IUPAC name of (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium (CID 2184520) is (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium.

What is the SMILES notation for (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium?

The canonical SMILES for (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium is C[C@@H]1C[NH+](CCCCOc2ccc(F)cc2)C[C@H](C)O1.

What is the InChIKey of (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium?

The InChIKey is GQHHYJDZVGBDKK-OKILXGFUSA-O. The full InChI is InChI=1S/C16H24FNO2/c1-13-11-18(12-14(2)20-13)9-3-4-10-19-16-7-5-15(17)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3/p+1/t13-,14+.

What are the key properties of (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium?

(2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium has a molecular weight of 282.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium is sourced from PubChem (CID 2184520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2184520 — identifiers, structure, computed properties (public domain)

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