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

C30H30F2N2O — CID 10005023

About 7-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]

7-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 10005023) has the molecular formula C30H30F2N2O and a molecular weight of 472.58 g/mol. Its IUPAC name is 7-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

• Compound Name: 7-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
• PubChem CID: 10005023
• Molecular Formula: C30H30F2N2O
• Molecular Weight: 472.58 g/mol
• Exact Mass: 472.23
• IUPAC Name: 7-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
• SMILES: Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3c(F)cccc34)c3ccccc32)cc1
• InChI: InChI=1S/C30H30F2N2O/c31-23-11-13-24(14-12-23)34-20-22(25-7-1-2-10-29(25)34)6-3-4-17-33-18-15-30(16-19-33)27-8-5-9-28(32)26(27)21-35-30/h1-2,5,7-14,20H,3-4,6,15-19,21H2
• InChIKey: OWMAZZDDARVWIK-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 7-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?

The IUPAC name of 7-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine] (CID 10005023) is 7-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine].

What is the SMILES notation for 7-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?

The canonical SMILES for 7-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine] is Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3c(F)cccc34)c3ccccc32)cc1.

What is the InChIKey of 7-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?

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

What are the key properties of 7-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]?

7-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 7-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 10005023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).