5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]

C30H30F2N2O — CID 10322581

About 5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]

5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 10322581) has the molecular formula C30H30F2N2O and a molecular weight of 472.58 g/mol. Its IUPAC name is 5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

• Compound Name: 5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
• PubChem CID: 10322581
• Molecular Formula: C30H30F2N2O
• Molecular Weight: 472.58 g/mol
• Exact Mass: 472.23
• IUPAC Name: 5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
• SMILES: Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccc(F)cc34)c3ccccc32)cc1
• InChI: InChI=1S/C30H30F2N2O/c31-24-10-12-26(13-11-24)34-20-22(27-6-1-2-7-29(27)34)5-3-4-16-33-17-14-30(15-18-33)28-19-25(32)9-8-23(28)21-35-30/h1-2,6-13,19-20H,3-5,14-18,21H2
• InChIKey: MVLXAYRBVZMIAU-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 17.40 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.58
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?

The IUPAC name of 5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 10322581) is 5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine].

What is the SMILES notation for 5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?

The canonical SMILES for 5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine] is Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccc(F)cc34)c3ccccc32)cc1.

What is the InChIKey of 5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?

The InChIKey is MVLXAYRBVZMIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N2O/c31-24-10-12-26(13-11-24)34-20-22(27-6-1-2-7-29(27)34)5-3-4-16-33-17-14-30(15-18-33)28-19-25(32)9-8-23(28)21-35-30/h1-2,6-13,19-20H,3-5,14-18,21H2.

What are the key properties of 5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?

5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 472.58 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 10322581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).