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

C12H17F3N2O2 — CID 64883990

IUPAC10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESO=C1CCN(CCC(F)(F)F)C(=O)C2(CCCC2)N1
InChIInChI=1S/C12H17F3N2O2/c13-12(14,15)6-8-17-7-3-9(18)16-11(10(17)19)4-1-2-5-11/h1-8H2,(H,16,18)
InChIKeyLVPCEMXIRXTHMR-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.60
Rot. Bonds2

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

10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione (PubChem CID 64883990) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione.

Molecular Properties

Compound Name10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
PubChem CID64883990
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESO=C1CCN(CCC(F)(F)F)C(=O)C2(CCCC2)N1
InChIInChI=1S/C12H17F3N2O2/c13-12(14,15)6-8-17-7-3-9(18)16-11(10(17)19)4-1-2-5-11/h1-8H2,(H,16,18)
InChIKeyLVPCEMXIRXTHMR-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 10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The IUPAC name of 10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione (CID 64883990) is 10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione.
What is the SMILES notation for 10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The canonical SMILES for 10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione is O=C1CCN(CCC(F)(F)F)C(=O)C2(CCCC2)N1.
What is the InChIKey of 10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The InChIKey is LVPCEMXIRXTHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c13-12(14,15)6-8-17-7-3-9(18)16-11(10(17)19)4-1-2-5-11/h1-8H2,(H,16,18).
What are the key properties of 10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-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 10-(3,3,3-trifluoropropyl)-6,10-diazaspiro[4.6]undecane-7,11-dione is sourced from PubChem (CID 64883990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).