tert-butyl-[[(2R,8S)-2-fluorospiro[2,3,6,7-tetrahydro-1H-pyrrolizine-5,1'-cyclopropane]-8-yl]methoxy]-diphenylsilane

C26H34FNOSi — CID 172588230

About tert-butyl-[[(2R,8S)-2-fluorospiro[2,3,6,7-tetrahydro-1H-pyrrolizine-5,1'-cyclopropane]-8-yl]methoxy]-diphenylsilane

tert-butyl-[[(2R,8S)-2-fluorospiro[2,3,6,7-tetrahydro-1H-pyrrolizine-5,1'-cyclopropane]-8-yl]methoxy]-diphenylsilane (PubChem CID 172588230) has the molecular formula C26H34FNOSi and a molecular weight of 423.65 g/mol. Its IUPAC name is tert-butyl-[[(2R,8S)-2-fluorospiro[2,3,6,7-tetrahydro-1H-pyrrolizine-5,1'-cyclopropane]-8-yl]methoxy]-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(2R,8S)-2-fluorospiro[2,3,6,7-tetrahydro-1H-pyrrolizine-5,1'-cyclopropane]-8-yl]methoxy]-diphenylsilane
• PubChem CID: 172588230
• Molecular Formula: C26H34FNOSi
• Molecular Weight: 423.65 g/mol
• Exact Mass: 423.24
• IUPAC Name: tert-butyl-[[(2R,8S)-2-fluorospiro[2,3,6,7-tetrahydro-1H-pyrrolizine-5,1'-cyclopropane]-8-yl]methoxy]-diphenylsilane
• SMILES: CC(C)(C)[Si](OC[C@@]12CCC3(CC3)N1C[C@H](F)C2)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H34FNOSi/c1-24(2,3)30(22-10-6-4-7-11-22,23-12-8-5-9-13-23)29-20-26-17-16-25(14-15-25)28(26)19-21(27)18-26/h4-13,21H,14-20H2,1-3H3/t21-,26+/m1/s1
• InChIKey: XBAYFRQFCPWQEJ-RLWLMLJZSA-N
• XLogP: 4.67
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.65
LogP ≤ 5	4.67
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-[[(2R,8S)-2-fluorospiro[2,3,6,7-tetrahydro-1H-pyrrolizine-5,1'-cyclopropane]-8-yl]methoxy]-diphenylsilane?

The IUPAC name of tert-butyl-[[(2R,8S)-2-fluorospiro[2,3,6,7-tetrahydro-1H-pyrrolizine-5,1'-cyclopropane]-8-yl]methoxy]-diphenylsilane (CID 172588230) is tert-butyl-[[(2R,8S)-2-fluorospiro[2,3,6,7-tetrahydro-1H-pyrrolizine-5,1'-cyclopropane]-8-yl]methoxy]-diphenylsilane.

What is the SMILES notation for tert-butyl-[[(2R,8S)-2-fluorospiro[2,3,6,7-tetrahydro-1H-pyrrolizine-5,1'-cyclopropane]-8-yl]methoxy]-diphenylsilane?

The canonical SMILES for tert-butyl-[[(2R,8S)-2-fluorospiro[2,3,6,7-tetrahydro-1H-pyrrolizine-5,1'-cyclopropane]-8-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@@]12CCC3(CC3)N1C[C@H](F)C2)(c1ccccc1)c1ccccc1.

What is the InChIKey of tert-butyl-[[(2R,8S)-2-fluorospiro[2,3,6,7-tetrahydro-1H-pyrrolizine-5,1'-cyclopropane]-8-yl]methoxy]-diphenylsilane?

The InChIKey is XBAYFRQFCPWQEJ-RLWLMLJZSA-N. The full InChI is InChI=1S/C26H34FNOSi/c1-24(2,3)30(22-10-6-4-7-11-22,23-12-8-5-9-13-23)29-20-26-17-16-25(14-15-25)28(26)19-21(27)18-26/h4-13,21H,14-20H2,1-3H3/t21-,26+/m1/s1.

What are the key properties of tert-butyl-[[(2R,8S)-2-fluorospiro[2,3,6,7-tetrahydro-1H-pyrrolizine-5,1'-cyclopropane]-8-yl]methoxy]-diphenylsilane?

tert-butyl-[[(2R,8S)-2-fluorospiro[2,3,6,7-tetrahydro-1H-pyrrolizine-5,1'-cyclopropane]-8-yl]methoxy]-diphenylsilane has a molecular weight of 423.65 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(2R,8S)-2-fluorospiro[2,3,6,7-tetrahydro-1H-pyrrolizine-5,1'-cyclopropane]-8-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 172588230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).