8-methyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C12H17F3N2O2 — CID 64875105

IUPAC8-methyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC1NC(=O)C2(CCCC2)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C12H17F3N2O2/c1-8-9(18)17(7-6-12(13,14)15)11(10(19)16-8)4-2-3-5-11/h8H,2-7H2,1H3,(H,16,19)
InChIKeyJUPPMSGJACSBQS-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.60
Rot. Bonds2

About 8-methyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione

8-methyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64875105) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 8-methyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-methyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64875105
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name8-methyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC1NC(=O)C2(CCCC2)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C12H17F3N2O2/c1-8-9(18)17(7-6-12(13,14)15)11(10(19)16-8)4-2-3-5-11/h8H,2-7H2,1H3,(H,16,19)
InChIKeyJUPPMSGJACSBQS-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 8-methyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-methyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64875105) is 8-methyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-methyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-methyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione is CC1NC(=O)C2(CCCC2)N(CCC(F)(F)F)C1=O.
What is the InChIKey of 8-methyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is JUPPMSGJACSBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-8-9(18)17(7-6-12(13,14)15)11(10(19)16-8)4-2-3-5-11/h8H,2-7H2,1H3,(H,16,19).
What are the key properties of 8-methyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
8-methyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 278.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64875105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).