Tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane

C₂₈H₃₂FNOSi — CID 175438594

About Tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane

Tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane (PubChem CID 175438594) has the molecular formula C₂₈H₃₂FNOSi and a molecular weight of 445.65 g/mol. Its IUPAC name is tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane.

Molecular Properties

• Compound Name: Tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane
• PubChem CID: 175438594
• Molecular Formula: C₂₈H₃₂FNOSi
• Molecular Weight: 445.65 g/mol
• Exact Mass: 445.22
• IUPAC Name: tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane
• SMILES: CN1CC(c2ccc(F)cc2)=C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C28H32FNOSi/c1-28(2,3)32(26-11-7-5-8-12-26,27-13-9-6-10-14-27)31-21-25-19-23(20-30(25)4)22-15-17-24(29)18-16-22/h5-19,25H,20-21H2,1-4H3/t25-/m0/s1
• InChIKey: RZRXNWBGKSXHOP-VWLOTQADSA-N
• XLogP: 5.10
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.65
LogP ≤ 5	5.10
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 Tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane?

The IUPAC name of Tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane (CID 175438594) is tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane.

What is the SMILES notation for Tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane?

The canonical SMILES for Tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane is CN1CC(c2ccc(F)cc2)=C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of Tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane?

The InChIKey is RZRXNWBGKSXHOP-VWLOTQADSA-N. The full InChI is InChI=1S/C28H32FNOSi/c1-28(2,3)32(26-11-7-5-8-12-26,27-13-9-6-10-14-27)31-21-25-19-23(20-30(25)4)22-15-17-24(29)18-16-22/h5-19,25H,20-21H2,1-4H3/t25-/m0/s1.

What are the key properties of Tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane?

Tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane has a molecular weight of 445.65 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 175438594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175438594 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.