9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione

C12H17F3N2O2 — CID 64882247

IUPAC9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCC1CC(=O)NC2(CCCC2)C(=O)N1CC(F)(F)F
InChIInChI=1S/C12H17F3N2O2/c1-8-6-9(18)16-11(4-2-3-5-11)10(19)17(8)7-12(13,14)15/h8H,2-7H2,1H3,(H,16,18)
InChIKeyYADXGVVYBZBKJD-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.60
Rot. Bonds1

About 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione

9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione (PubChem CID 64882247) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione.

Molecular Properties

Compound Name9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
PubChem CID64882247
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCC1CC(=O)NC2(CCCC2)C(=O)N1CC(F)(F)F
InChIInChI=1S/C12H17F3N2O2/c1-8-6-9(18)16-11(4-2-3-5-11)10(19)17(8)7-12(13,14)15/h8H,2-7H2,1H3,(H,16,18)
InChIKeyYADXGVVYBZBKJD-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The IUPAC name of 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione (CID 64882247) is 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione.
What is the SMILES notation for 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The canonical SMILES for 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione is CC1CC(=O)NC2(CCCC2)C(=O)N1CC(F)(F)F.
What is the InChIKey of 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The InChIKey is YADXGVVYBZBKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-8-6-9(18)16-11(4-2-3-5-11)10(19)17(8)7-12(13,14)15/h8H,2-7H2,1H3,(H,16,18).
What are the key properties of 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione has a molecular weight of 278.27 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-(2,2,2-trifluoroethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione is sourced from PubChem (CID 64882247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).