[7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane

C23H37BFNO2Si — CID 90418659

About [7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane

[7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane (PubChem CID 90418659) has the molecular formula C23H37BFNO2Si and a molecular weight of 417.45 g/mol. Its IUPAC name is [7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane
• PubChem CID: 90418659
• Molecular Formula: C23H37BFNO2Si
• Molecular Weight: 417.45 g/mol
• Exact Mass: 417.27
• IUPAC Name: [7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c21
• InChI: InChI=1S/C23H37BFNO2Si/c1-15(2)29(16(3)4,17(5)6)26-14-13-18-11-12-19(20(25)21(18)26)24-27-22(7,8)23(9,10)28-24/h11-17H,1-10H3
• InChIKey: WHKVMIKJUDLXNI-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 23.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.45
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane?

The IUPAC name of [7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane (CID 90418659) is [7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane.

What is the SMILES notation for [7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane?

The canonical SMILES for [7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c21.

What is the InChIKey of [7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane?

The InChIKey is WHKVMIKJUDLXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37BFNO2Si/c1-15(2)29(16(3)4,17(5)6)26-14-13-18-11-12-19(20(25)21(18)26)24-27-22(7,8)23(9,10)28-24/h11-17H,1-10H3.

What are the key properties of [7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane?

[7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane has a molecular weight of 417.45 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [7-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 90418659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).