2-[(2R)-5-(2-bromo-6-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane

C19H29BrFNOSi — CID 142588433

About 2-[(2R)-5-(2-bromo-6-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane

2-[(2R)-5-(2-bromo-6-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane (PubChem CID 142588433) has the molecular formula C19H29BrFNOSi and a molecular weight of 414.44 g/mol. Its IUPAC name is 2-[(2R)-5-(2-bromo-6-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: 2-[(2R)-5-(2-bromo-6-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane
• PubChem CID: 142588433
• Molecular Formula: C19H29BrFNOSi
• Molecular Weight: 414.44 g/mol
• Exact Mass: 413.12
• IUPAC Name: 2-[(2R)-5-(2-bromo-6-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane
• SMILES: CC(C)(O[Si](C)(C)C(C)(C)C)[C@H]1CCC(c2c(F)cccc2Br)=N1
• InChI: InChI=1S/C19H29BrFNOSi/c1-18(2,3)24(6,7)23-19(4,5)16-12-11-15(22-16)17-13(20)9-8-10-14(17)21/h8-10,16H,11-12H2,1-7H3/t16-/m1/s1
• InChIKey: PNOUIWCHGGTYIH-MRXNPFEDSA-N
• XLogP: 6.34
• TPSA: 21.59 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.44
LogP ≤ 5	6.34
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 2-[(2R)-5-(2-bromo-6-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane?

The IUPAC name of 2-[(2R)-5-(2-bromo-6-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane (CID 142588433) is 2-[(2R)-5-(2-bromo-6-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane.

What is the SMILES notation for 2-[(2R)-5-(2-bromo-6-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane?

The canonical SMILES for 2-[(2R)-5-(2-bromo-6-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane is CC(C)(O[Si](C)(C)C(C)(C)C)[C@H]1CCC(c2c(F)cccc2Br)=N1.

What is the InChIKey of 2-[(2R)-5-(2-bromo-6-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane?

The InChIKey is PNOUIWCHGGTYIH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29BrFNOSi/c1-18(2,3)24(6,7)23-19(4,5)16-12-11-15(22-16)17-13(20)9-8-10-14(17)21/h8-10,16H,11-12H2,1-7H3/t16-/m1/s1.

What are the key properties of 2-[(2R)-5-(2-bromo-6-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane?

2-[(2R)-5-(2-bromo-6-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane has a molecular weight of 414.44 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-5-(2-bromo-6-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 142588433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).