8-(2,2,2-trifluoroethyl)-6,8-diazaspiro[3.6]decane-7,9-dione

C10H13F3N2O2 — CID 113463010

IUPAC8-(2,2,2-trifluoroethyl)-6,8-diazaspiro[3.6]decane-7,9-dione
SMILESO=C1CC2(CCC2)CNC(=O)N1CC(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)6-15-7(16)4-9(2-1-3-9)5-14-8(15)17/h1-6H2,(H,14,17)
InChIKeyQCJJOGFOKHWKHS-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.66
Rot. Bonds1

About 8-(2,2,2-trifluoroethyl)-6,8-diazaspiro[3.6]decane-7,9-dione

8-(2,2,2-trifluoroethyl)-6,8-diazaspiro[3.6]decane-7,9-dione (PubChem CID 113463010) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 8-(2,2,2-trifluoroethyl)-6,8-diazaspiro[3.6]decane-7,9-dione.

Molecular Properties

Compound Name8-(2,2,2-trifluoroethyl)-6,8-diazaspiro[3.6]decane-7,9-dione
PubChem CID113463010
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name8-(2,2,2-trifluoroethyl)-6,8-diazaspiro[3.6]decane-7,9-dione
SMILESO=C1CC2(CCC2)CNC(=O)N1CC(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)6-15-7(16)4-9(2-1-3-9)5-14-8(15)17/h1-6H2,(H,14,17)
InChIKeyQCJJOGFOKHWKHS-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2,2-trifluoroethyl)-6,8-diazaspiro[3.6]decane-7,9-dione?
The IUPAC name of 8-(2,2,2-trifluoroethyl)-6,8-diazaspiro[3.6]decane-7,9-dione (CID 113463010) is 8-(2,2,2-trifluoroethyl)-6,8-diazaspiro[3.6]decane-7,9-dione.
What is the SMILES notation for 8-(2,2,2-trifluoroethyl)-6,8-diazaspiro[3.6]decane-7,9-dione?
The canonical SMILES for 8-(2,2,2-trifluoroethyl)-6,8-diazaspiro[3.6]decane-7,9-dione is O=C1CC2(CCC2)CNC(=O)N1CC(F)(F)F.
What is the InChIKey of 8-(2,2,2-trifluoroethyl)-6,8-diazaspiro[3.6]decane-7,9-dione?
The InChIKey is QCJJOGFOKHWKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c11-10(12,13)6-15-7(16)4-9(2-1-3-9)5-14-8(15)17/h1-6H2,(H,14,17).
What are the key properties of 8-(2,2,2-trifluoroethyl)-6,8-diazaspiro[3.6]decane-7,9-dione?
8-(2,2,2-trifluoroethyl)-6,8-diazaspiro[3.6]decane-7,9-dione has a molecular weight of 250.22 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,2-trifluoroethyl)-6,8-diazaspiro[3.6]decane-7,9-dione is sourced from PubChem (CID 113463010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).