Tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2,3-dihydroindole-1-carboxylate

C₂₀H₃₂FNO₃Si — CID 175968760

About Tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2,3-dihydroindole-1-carboxylate

Tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2,3-dihydroindole-1-carboxylate (PubChem CID 175968760) has the molecular formula C₂₀H₃₂FNO₃Si and a molecular weight of 381.56 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2,3-dihydroindole-1-carboxylate.

Molecular Properties

• Compound Name: Tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2,3-dihydroindole-1-carboxylate
• PubChem CID: 175968760
• Molecular Formula: C₂₀H₃₂FNO₃Si
• Molecular Weight: 381.56 g/mol
• Exact Mass: 381.21
• IUPAC Name: tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2,3-dihydroindole-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1c2cccc(F)c2C[C@@H]1CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C20H32FNO3Si/c1-19(2,3)25-18(23)22-14(13-24-26(7,8)20(4,5)6)12-15-16(21)10-9-11-17(15)22/h9-11,14H,12-13H2,1-8H3/t14-/m1/s1
• InChIKey: NSOXXYUIBFXBPO-CQSZACIVSA-N
• XLogP: 5.51
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	381.56
LogP ≤ 5	5.51
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 Tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2,3-dihydroindole-1-carboxylate?

The IUPAC name of Tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2,3-dihydroindole-1-carboxylate (CID 175968760) is tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2,3-dihydroindole-1-carboxylate.

What is the SMILES notation for Tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2,3-dihydroindole-1-carboxylate?

The canonical SMILES for Tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1c2cccc(F)c2C[C@@H]1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of Tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2,3-dihydroindole-1-carboxylate?

The InChIKey is NSOXXYUIBFXBPO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H32FNO3Si/c1-19(2,3)25-18(23)22-14(13-24-26(7,8)20(4,5)6)12-15-16(21)10-9-11-17(15)22/h9-11,14H,12-13H2,1-8H3/t14-/m1/s1.

What are the key properties of Tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2,3-dihydroindole-1-carboxylate?

Tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2,3-dihydroindole-1-carboxylate has a molecular weight of 381.56 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 175968760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175968760 — identifiers, structure, computed properties (public domain)

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