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

C13H19F3N2O2 — CID 64873391

IUPAC8-propyl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCCC1NC(=O)C2(CCCC2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C13H19F3N2O2/c1-2-5-9-10(19)18(8-13(14,15)16)12(11(20)17-9)6-3-4-7-12/h9H,2-8H2,1H3,(H,17,20)
InChIKeySIMILYHJXPZZRJ-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.99
Rot. Bonds3

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

8-propyl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64873391) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 8-propyl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-propyl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64873391
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name8-propyl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCCC1NC(=O)C2(CCCC2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C13H19F3N2O2/c1-2-5-9-10(19)18(8-13(14,15)16)12(11(20)17-9)6-3-4-7-12/h9H,2-8H2,1H3,(H,17,20)
InChIKeySIMILYHJXPZZRJ-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 8-propyl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-propyl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64873391) is 8-propyl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-propyl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-propyl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is CCCC1NC(=O)C2(CCCC2)N(CC(F)(F)F)C1=O.
What is the InChIKey of 8-propyl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is SIMILYHJXPZZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-2-5-9-10(19)18(8-13(14,15)16)12(11(20)17-9)6-3-4-7-12/h9H,2-8H2,1H3,(H,17,20).
What are the key properties of 8-propyl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
8-propyl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-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 8-propyl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64873391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).