6-(2,2-difluoroethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione

C13H20F2N2O2 — CID 64873389

IUPAC6-(2,2-difluoroethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCCC1NC(=O)C2(CCCC2)N(CC(F)F)C1=O
InChIInChI=1S/C13H20F2N2O2/c1-2-5-9-11(18)17(8-10(14)15)13(12(19)16-9)6-3-4-7-13/h9-10H,2-8H2,1H3,(H,16,19)
InChIKeyJTPKLCJCVWFNHG-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.69
Rot. Bonds4

About 6-(2,2-difluoroethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione

6-(2,2-difluoroethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64873389) has the molecular formula C13H20F2N2O2 and a molecular weight of 274.31 g/mol. Its IUPAC name is 6-(2,2-difluoroethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name6-(2,2-difluoroethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64873389
Molecular FormulaC13H20F2N2O2
Molecular Weight274.31 g/mol
Exact Mass274.15
IUPAC Name6-(2,2-difluoroethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCCC1NC(=O)C2(CCCC2)N(CC(F)F)C1=O
InChIInChI=1S/C13H20F2N2O2/c1-2-5-9-11(18)17(8-10(14)15)13(12(19)16-9)6-3-4-7-13/h9-10H,2-8H2,1H3,(H,16,19)
InChIKeyJTPKLCJCVWFNHG-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 6-(2,2-difluoroethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64873389) is 6-(2,2-difluoroethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 6-(2,2-difluoroethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 6-(2,2-difluoroethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione is CCCC1NC(=O)C2(CCCC2)N(CC(F)F)C1=O.
What is the InChIKey of 6-(2,2-difluoroethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is JTPKLCJCVWFNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2/c1-2-5-9-11(18)17(8-10(14)15)13(12(19)16-9)6-3-4-7-13/h9-10H,2-8H2,1H3,(H,16,19).
What are the key properties of 6-(2,2-difluoroethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione?
6-(2,2-difluoroethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 274.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64873389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).