8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione

C₁₄H₂₀F₃NO₃ — CID 129400075

About 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione

8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 129400075) has the molecular formula C₁₄H₂₀F₃NO₃ and a molecular weight of 307.31 g/mol. Its IUPAC name is 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

• Compound Name: 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione
• PubChem CID: 129400075
• Molecular Formula: C₁₄H₂₀F₃NO₃
• Molecular Weight: 307.31 g/mol
• Exact Mass: 307.14
• IUPAC Name: 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione
• SMILES: CC1CCC2(CC1)CC(=O)N(C[C@@H](O)CC(F)(F)F)C2=O
• InChI: InChI=1S/C14H20F3NO3/c1-9-2-4-13(5-3-9)7-11(20)18(12(13)21)8-10(19)6-14(15,16)17/h9-10,19H,2-8H2,1H3/t9?,10-,13?/m0/s1
• InChIKey: QNHDBVLTXROKFY-QUNCOHTASA-N
• XLogP: 2.26
• TPSA: 57.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.31
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione?

The IUPAC name of 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione (CID 129400075) is 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione.

What is the SMILES notation for 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione?

The canonical SMILES for 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione is CC1CCC2(CC1)CC(=O)N(C[C@@H](O)CC(F)(F)F)C2=O.

What is the InChIKey of 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione?

The InChIKey is QNHDBVLTXROKFY-QUNCOHTASA-N. The full InChI is InChI=1S/C14H20F3NO3/c1-9-2-4-13(5-3-9)7-11(20)18(12(13)21)8-10(19)6-14(15,16)17/h9-10,19H,2-8H2,1H3/t9?,10-,13?/m0/s1.

What are the key properties of 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione?

8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 307.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 129400075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 129400075 — identifiers, structure, computed properties (public domain)

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