8-(trifluoromethyl)-2-azaspiro[4.5]decane-1,3-dione

C10H12F3NO2 — CID 64754037

IUPAC8-(trifluoromethyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCC(C(F)(F)F)CC2)C(=O)N1
InChIInChI=1S/C10H12F3NO2/c11-10(12,13)6-1-3-9(4-2-6)5-7(15)14-8(9)16/h6H,1-5H2,(H,14,15,16)
InChIKeyDRBDDLPYQXDKKV-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.77
Rot. Bonds

About 8-(trifluoromethyl)-2-azaspiro[4.5]decane-1,3-dione

8-(trifluoromethyl)-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 64754037) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 8-(trifluoromethyl)-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name8-(trifluoromethyl)-2-azaspiro[4.5]decane-1,3-dione
PubChem CID64754037
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name8-(trifluoromethyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCC(C(F)(F)F)CC2)C(=O)N1
InChIInChI=1S/C10H12F3NO2/c11-10(12,13)6-1-3-9(4-2-6)5-7(15)14-8(9)16/h6H,1-5H2,(H,14,15,16)
InChIKeyDRBDDLPYQXDKKV-UHFFFAOYSA-N
XLogP1.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.77
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-(trifluoromethyl)-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 8-(trifluoromethyl)-2-azaspiro[4.5]decane-1,3-dione (CID 64754037) is 8-(trifluoromethyl)-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 8-(trifluoromethyl)-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 8-(trifluoromethyl)-2-azaspiro[4.5]decane-1,3-dione is O=C1CC2(CCC(C(F)(F)F)CC2)C(=O)N1.
What is the InChIKey of 8-(trifluoromethyl)-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is DRBDDLPYQXDKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c11-10(12,13)6-1-3-9(4-2-6)5-7(15)14-8(9)16/h6H,1-5H2,(H,14,15,16).
What are the key properties of 8-(trifluoromethyl)-2-azaspiro[4.5]decane-1,3-dione?
8-(trifluoromethyl)-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 235.20 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 64754037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).