3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid

C₁₀H₁₄F₅NO₃ — CID 175726820

About 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid

3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid (PubChem CID 175726820) has the molecular formula C₁₀H₁₄F₅NO₃ and a molecular weight of 291.22 g/mol. Its IUPAC name is 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid
• PubChem CID: 175726820
• Molecular Formula: C₁₀H₁₄F₅NO₃
• Molecular Weight: 291.22 g/mol
• Exact Mass: 291.09
• IUPAC Name: 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid
• SMILES: NC1CCC2(CC1)OCC2(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C8H13F2NO.C2HF3O2/c9-8(10)5-12-7(8)3-1-6(11)2-4-7;3-2(4,5)1(6)7/h6H,1-5,11H2;(H,6,7)
• InChIKey: OZDOQIJNCGZJSW-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 72.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	291.22
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid?

The IUPAC name of 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid (CID 175726820) is 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid?

The canonical SMILES for 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid is NC1CCC2(CC1)OCC2(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid?

The InChIKey is OZDOQIJNCGZJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO.C2HF3O2/c9-8(10)5-12-7(8)3-1-6(11)2-4-7;3-2(4,5)1(6)7/h6H,1-5,11H2;(H,6,7).

What are the key properties of 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid?

3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid has a molecular weight of 291.22 g/mol, XLogP of 1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175726820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175726820 — identifiers, structure, computed properties (public domain)

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