Tert-butyl (5R,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate

C₁₅H₂₄FNO₃ — CID 125451170

About Tert-butyl (5R,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate

Tert-butyl (5R,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate (PubChem CID 125451170) has the molecular formula C₁₅H₂₄FNO₃ and a molecular weight of 285.36 g/mol. Its IUPAC name is tert-butyl (5R,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate.

Molecular Properties

• Compound Name: Tert-butyl (5R,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate
• PubChem CID: 125451170
• Molecular Formula: C₁₅H₂₄FNO₃
• Molecular Weight: 285.36 g/mol
• Exact Mass: 285.17
• IUPAC Name: tert-butyl (5R,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CC[C@@]2(CCC=CCO2)[C@H](F)C1
• InChI: InChI=1S/C15H24FNO3/c1-14(2,3)20-13(18)17-9-8-15(12(16)11-17)7-5-4-6-10-19-15/h4,6,12H,5,7-11H2,1-3H3/t12-,15+/m1/s1
• InChIKey: ACAWQWSDPGYWIN-DOMZBBRYSA-N
• XLogP: 3.07
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.36
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tert-butyl (5R,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate?

The IUPAC name of Tert-butyl (5R,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate (CID 125451170) is tert-butyl (5R,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate.

What is the SMILES notation for Tert-butyl (5R,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate?

The canonical SMILES for Tert-butyl (5R,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate is CC(C)(C)OC(=O)N1CC[C@@]2(CCC=CCO2)[C@H](F)C1.

What is the InChIKey of Tert-butyl (5R,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate?

The InChIKey is ACAWQWSDPGYWIN-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-14(2,3)20-13(18)17-9-8-15(12(16)11-17)7-5-4-6-10-19-15/h4,6,12H,5,7-11H2,1-3H3/t12-,15+/m1/s1.

What are the key properties of Tert-butyl (5R,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate?

Tert-butyl (5R,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate has a molecular weight of 285.36 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl (5R,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate is sourced from PubChem (CID 125451170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 125451170 — identifiers, structure, computed properties (public domain)

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