3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine

C₉H₁₄F₃NO — CID 163294962

About 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine

3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine (PubChem CID 163294962) has the molecular formula C₉H₁₄F₃NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine.

Molecular Properties

• Compound Name: 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine
• PubChem CID: 163294962
• Molecular Formula: C₉H₁₄F₃NO
• Molecular Weight: 209.21 g/mol
• Exact Mass: 209.10
• IUPAC Name: 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine
• SMILES: NC1CCC2(CC1)OCC2C(F)(F)F
• InChI: InChI=1S/C9H14F3NO/c10-9(11,12)7-5-14-8(7)3-1-6(13)2-4-8/h6-7H,1-5,13H2
• InChIKey: PCTLKMWTGXTNOA-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.21
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine?

The IUPAC name of 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine (CID 163294962) is 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine.

What is the SMILES notation for 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine?

The canonical SMILES for 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine is NC1CCC2(CC1)OCC2C(F)(F)F.

What is the InChIKey of 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine?

The InChIKey is PCTLKMWTGXTNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)7-5-14-8(7)3-1-6(13)2-4-8/h6-7H,1-5,13H2.

What are the key properties of 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine?

3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine has a molecular weight of 209.21 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine is sourced from PubChem (CID 163294962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163294962 — identifiers, structure, computed properties (public domain)

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