8,8-difluoro-2-azaspiro[4.5]decane-1,3-dione

C9H11F2NO2 — CID 118366392

IUPAC8,8-difluoro-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCC(F)(F)CC2)C(=O)N1
InChIInChI=1S/C9H11F2NO2/c10-9(11)3-1-8(2-4-9)5-6(13)12-7(8)14/h1-5H2,(H,12,13,14)
InChIKeyZWUOHICEAHRQDA-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.23
Rot. Bonds

About 8,8-difluoro-2-azaspiro[4.5]decane-1,3-dione

8,8-difluoro-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 118366392) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 8,8-difluoro-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name8,8-difluoro-2-azaspiro[4.5]decane-1,3-dione
PubChem CID118366392
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name8,8-difluoro-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCC(F)(F)CC2)C(=O)N1
InChIInChI=1S/C9H11F2NO2/c10-9(11)3-1-8(2-4-9)5-6(13)12-7(8)14/h1-5H2,(H,12,13,14)
InChIKeyZWUOHICEAHRQDA-UHFFFAOYSA-N
XLogP1.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 8,8-difluoro-2-azaspiro[4.5]decane-1,3-dione (CID 118366392) is 8,8-difluoro-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 8,8-difluoro-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 8,8-difluoro-2-azaspiro[4.5]decane-1,3-dione is O=C1CC2(CCC(F)(F)CC2)C(=O)N1.
What is the InChIKey of 8,8-difluoro-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is ZWUOHICEAHRQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c10-9(11)3-1-8(2-4-9)5-6(13)12-7(8)14/h1-5H2,(H,12,13,14).
What are the key properties of 8,8-difluoro-2-azaspiro[4.5]decane-1,3-dione?
8,8-difluoro-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 203.19 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 118366392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).