9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione

C13H19F3N2O2 — CID 64883993

IUPAC9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCC1CC(=O)NC2(CCCC2)C(=O)N1CCC(F)(F)F
InChIInChI=1S/C13H19F3N2O2/c1-9-8-10(19)17-12(4-2-3-5-12)11(20)18(9)7-6-13(14,15)16/h9H,2-8H2,1H3,(H,17,19)
InChIKeyPIOKLGLMKUMAJO-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.99
Rot. Bonds2

About 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione

9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione (PubChem CID 64883993) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione.

Molecular Properties

Compound Name9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
PubChem CID64883993
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCC1CC(=O)NC2(CCCC2)C(=O)N1CCC(F)(F)F
InChIInChI=1S/C13H19F3N2O2/c1-9-8-10(19)17-12(4-2-3-5-12)11(20)18(9)7-6-13(14,15)16/h9H,2-8H2,1H3,(H,17,19)
InChIKeyPIOKLGLMKUMAJO-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The IUPAC name of 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione (CID 64883993) is 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione.
What is the SMILES notation for 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The canonical SMILES for 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione is CC1CC(=O)NC2(CCCC2)C(=O)N1CCC(F)(F)F.
What is the InChIKey of 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The InChIKey is PIOKLGLMKUMAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-9-8-10(19)17-12(4-2-3-5-12)11(20)18(9)7-6-13(14,15)16/h9H,2-8H2,1H3,(H,17,19).
What are the key properties of 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione has a molecular weight of 292.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione is sourced from PubChem (CID 64883993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).