Tert-butyl-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]-diphenylsilane

C₂₁H₂₈FNOSi — CID 175426114

About Tert-butyl-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]-diphenylsilane

Tert-butyl-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]-diphenylsilane (PubChem CID 175426114) has the molecular formula C₂₁H₂₈FNOSi and a molecular weight of 357.55 g/mol. Its IUPAC name is tert-butyl-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]-diphenylsilane.

Molecular Properties

• Compound Name: Tert-butyl-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]-diphenylsilane
• PubChem CID: 175426114
• Molecular Formula: C₂₁H₂₈FNOSi
• Molecular Weight: 357.55 g/mol
• Exact Mass: 357.19
• IUPAC Name: tert-butyl-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]-diphenylsilane
• SMILES: CC(C)(C)[Si](OC[C@@H]1C[C@@H](F)CN1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H28FNOSi/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-16-18-14-17(22)15-23-18/h4-13,17-18,23H,14-16H2,1-3H3/t17-,18+/m1/s1
• InChIKey: CFDRLSQGSULEHC-MSOLQXFVSA-N
• XLogP: 3.26
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.55
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
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,4R)-4-fluoropyrrolidin-2-yl]methoxy]-diphenylsilane?

The IUPAC name of Tert-butyl-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]-diphenylsilane (CID 175426114) is tert-butyl-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]-diphenylsilane.

What is the SMILES notation for Tert-butyl-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]-diphenylsilane?

The canonical SMILES for Tert-butyl-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1C[C@@H](F)CN1)(c1ccccc1)c1ccccc1.

What is the InChIKey of Tert-butyl-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]-diphenylsilane?

The InChIKey is CFDRLSQGSULEHC-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H28FNOSi/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-16-18-14-17(22)15-23-18/h4-13,17-18,23H,14-16H2,1-3H3/t17-,18+/m1/s1.

What are the key properties of Tert-butyl-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]-diphenylsilane?

Tert-butyl-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]-diphenylsilane has a molecular weight of 357.55 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 175426114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175426114 — identifiers, structure, computed properties (public domain)

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