10-(4,4,4-trifluorobutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione

C13H19F3N2O2 — CID 115519540

IUPAC10-(4,4,4-trifluorobutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESO=C1CCN(CCCC(F)(F)F)C(=O)C2(CCCC2)N1
InChIInChI=1S/C13H19F3N2O2/c14-13(15,16)7-3-8-18-9-4-10(19)17-12(11(18)20)5-1-2-6-12/h1-9H2,(H,17,19)
InChIKeyJPWCPSUBIQEXGC-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.99
Rot. Bonds3

About 10-(4,4,4-trifluorobutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione

10-(4,4,4-trifluorobutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione (PubChem CID 115519540) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 10-(4,4,4-trifluorobutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione.

Molecular Properties

Compound Name10-(4,4,4-trifluorobutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
PubChem CID115519540
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name10-(4,4,4-trifluorobutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESO=C1CCN(CCCC(F)(F)F)C(=O)C2(CCCC2)N1
InChIInChI=1S/C13H19F3N2O2/c14-13(15,16)7-3-8-18-9-4-10(19)17-12(11(18)20)5-1-2-6-12/h1-9H2,(H,17,19)
InChIKeyJPWCPSUBIQEXGC-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 10-(4,4,4-trifluorobutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The IUPAC name of 10-(4,4,4-trifluorobutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione (CID 115519540) is 10-(4,4,4-trifluorobutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione.
What is the SMILES notation for 10-(4,4,4-trifluorobutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The canonical SMILES for 10-(4,4,4-trifluorobutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione is O=C1CCN(CCCC(F)(F)F)C(=O)C2(CCCC2)N1.
What is the InChIKey of 10-(4,4,4-trifluorobutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The InChIKey is JPWCPSUBIQEXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c14-13(15,16)7-3-8-18-9-4-10(19)17-12(11(18)20)5-1-2-6-12/h1-9H2,(H,17,19).
What are the key properties of 10-(4,4,4-trifluorobutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
10-(4,4,4-trifluorobutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione has a molecular weight of 292.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,4,4-trifluorobutyl)-6,10-diazaspiro[4.6]undecane-7,11-dione is sourced from PubChem (CID 115519540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).