Tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate

C₁₆H₂₇F₃N₂O₂ — CID 155894204

About Tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate

Tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate (PubChem CID 155894204) has the molecular formula C₁₆H₂₇F₃N₂O₂ and a molecular weight of 336.40 g/mol. Its IUPAC name is tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

• Compound Name: Tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate
• PubChem CID: 155894204
• Molecular Formula: C₁₆H₂₇F₃N₂O₂
• Molecular Weight: 336.40 g/mol
• Exact Mass: 336.20
• IUPAC Name: tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CCC(N)(C(F)(F)F)CC2
• InChI: InChI=1S/C16H27F3N2O2/c1-13(2,3)23-12(22)21-10-8-14(9-11-21)4-6-15(20,7-5-14)16(17,18)19/h4-11,20H2,1-3H3
• InChIKey: USTNCCVMFBVHGG-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 55.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.40
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate?

The IUPAC name of Tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate (CID 155894204) is tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate.

What is the SMILES notation for Tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate?

The canonical SMILES for Tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CCC(N)(C(F)(F)F)CC2.

What is the InChIKey of Tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate?

The InChIKey is USTNCCVMFBVHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O2/c1-13(2,3)23-12(22)21-10-8-14(9-11-21)4-6-15(20,7-5-14)16(17,18)19/h4-11,20H2,1-3H3.

What are the key properties of Tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate?

Tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate has a molecular weight of 336.40 g/mol, XLogP of 3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 155894204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155894204 — identifiers, structure, computed properties (public domain)

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