[5-fluoro-8-methoxy-5-methyl-9-(2-methylpentan-2-yl)-4b,9-dihydrofluoren-2-yl]methoxy-dimethylsilanylium

C24H36FO2Si+ — CID 163468522

About [5-fluoro-8-methoxy-5-methyl-9-(2-methylpentan-2-yl)-4b,9-dihydrofluoren-2-yl]methoxy-dimethylsilanylium

[5-fluoro-8-methoxy-5-methyl-9-(2-methylpentan-2-yl)-4b,9-dihydrofluoren-2-yl]methoxy-dimethylsilanylium (PubChem CID 163468522) has the molecular formula C24H36FO2Si+ and a molecular weight of 403.63 g/mol. Its IUPAC name is [5-fluoro-8-methoxy-5-methyl-9-(2-methylpentan-2-yl)-4b,9-dihydrofluoren-2-yl]methoxy-dimethylsilanylium.

Molecular Properties

• Compound Name: [5-fluoro-8-methoxy-5-methyl-9-(2-methylpentan-2-yl)-4b,9-dihydrofluoren-2-yl]methoxy-dimethylsilanylium
• PubChem CID: 163468522
• Molecular Formula: C24H36FO2Si+
• Molecular Weight: 403.63 g/mol
• Exact Mass: 403.25
• IUPAC Name: [5-fluoro-8-methoxy-5-methyl-9-(2-methylpentan-2-yl)-4b,9-dihydrofluoren-2-yl]methoxy-dimethylsilanylium
• SMILES: CCCC(C)(C)C1C2=C(OC)C=CC(C)(F)C2c2ccc(CO[SiH2+](C)C)cc21
• InChI: InChI=1S/C24H36FO2Si/c1-8-12-23(2,3)21-18-14-16(15-27-28(6)7)9-10-17(18)22-20(21)19(26-5)11-13-24(22,4)25/h9-11,13-14,21-22H,8,12,15,28H2,1-7H3/q+1
• InChIKey: BAXFEGMWYJMENO-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.63
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-8-methoxy-5-methyl-9-(2-methylpentan-2-yl)-4b,9-dihydrofluoren-2-yl]methoxy-dimethylsilanylium?

The IUPAC name of [5-fluoro-8-methoxy-5-methyl-9-(2-methylpentan-2-yl)-4b,9-dihydrofluoren-2-yl]methoxy-dimethylsilanylium (CID 163468522) is [5-fluoro-8-methoxy-5-methyl-9-(2-methylpentan-2-yl)-4b,9-dihydrofluoren-2-yl]methoxy-dimethylsilanylium.

What is the SMILES notation for [5-fluoro-8-methoxy-5-methyl-9-(2-methylpentan-2-yl)-4b,9-dihydrofluoren-2-yl]methoxy-dimethylsilanylium?

The canonical SMILES for [5-fluoro-8-methoxy-5-methyl-9-(2-methylpentan-2-yl)-4b,9-dihydrofluoren-2-yl]methoxy-dimethylsilanylium is CCCC(C)(C)C1C2=C(OC)C=CC(C)(F)C2c2ccc(CO[SiH2+](C)C)cc21.

What is the InChIKey of [5-fluoro-8-methoxy-5-methyl-9-(2-methylpentan-2-yl)-4b,9-dihydrofluoren-2-yl]methoxy-dimethylsilanylium?

The InChIKey is BAXFEGMWYJMENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FO2Si/c1-8-12-23(2,3)21-18-14-16(15-27-28(6)7)9-10-17(18)22-20(21)19(26-5)11-13-24(22,4)25/h9-11,13-14,21-22H,8,12,15,28H2,1-7H3/q+1.

What are the key properties of [5-fluoro-8-methoxy-5-methyl-9-(2-methylpentan-2-yl)-4b,9-dihydrofluoren-2-yl]methoxy-dimethylsilanylium?

[5-fluoro-8-methoxy-5-methyl-9-(2-methylpentan-2-yl)-4b,9-dihydrofluoren-2-yl]methoxy-dimethylsilanylium has a molecular weight of 403.63 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [5-fluoro-8-methoxy-5-methyl-9-(2-methylpentan-2-yl)-4b,9-dihydrofluoren-2-yl]methoxy-dimethylsilanylium is sourced from PubChem (CID 163468522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).