Fluvoxamine

C₁₅H₂₁F₃N₂O₂ — CID 5324346

About Fluvoxamine

Fluvoxamine (PubChem CID 5324346) has the molecular formula C₁₅H₂₁F₃N₂O₂ and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine.

Molecular Properties

• Compound Name: Fluvoxamine
• PubChem CID: 5324346
• Molecular Formula: C₁₅H₂₁F₃N₂O₂
• Molecular Weight: 318.34 g/mol
• Exact Mass: 318.16
• IUPAC Name: 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
• SMILES: COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
• InChIKey: CJOFXWAVKWHTFT-XSFVSMFZSA-N
• XLogP: 3.20
• TPSA: 56.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.34
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Fluvoxamine?

The IUPAC name of Fluvoxamine (CID 5324346) is 2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine.

What is the SMILES notation for Fluvoxamine?

The canonical SMILES for Fluvoxamine is COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of Fluvoxamine?

The InChIKey is CJOFXWAVKWHTFT-XSFVSMFZSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+.

What are the key properties of Fluvoxamine?

Fluvoxamine has a molecular weight of 318.34 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Fluvoxamine is sourced from PubChem (CID 5324346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5324346 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1230 — approved-drug record (CC BY-SA 4.0)

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