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

C13H19F3N2O2 — CID 64885889

IUPAC8-ethyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCC1C(=O)NC2(CCCC2)C(=O)N1CCC(F)(F)F
InChIInChI=1S/C13H19F3N2O2/c1-2-9-10(19)17-12(5-3-4-6-12)11(20)18(9)8-7-13(14,15)16/h9H,2-8H2,1H3,(H,17,19)
InChIKeyPTSKDLIMGKEMLB-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.99
Rot. Bonds3

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

8-ethyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64885889) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 8-ethyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-ethyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64885889
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name8-ethyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCC1C(=O)NC2(CCCC2)C(=O)N1CCC(F)(F)F
InChIInChI=1S/C13H19F3N2O2/c1-2-9-10(19)17-12(5-3-4-6-12)11(20)18(9)8-7-13(14,15)16/h9H,2-8H2,1H3,(H,17,19)
InChIKeyPTSKDLIMGKEMLB-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

Analyze 8-ethyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,9-diethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887606
4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64886290
8-ethyl-9-(5-methylhexyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 115327199
8-ethyl-9-(2-methylprop-2-enyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 114619330
8-(2-methylpropyl)-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887040
8-methyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887442
8-ethyl-9-[2-(furan-2-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64964670
8-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887032
4-methyl-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64885908
8-ethyl-9-(1-methylcyclopentyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64973613
9-(2,2-difluoroethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886654
9-(2-ethoxyethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887608

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-ethyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64885889) is 8-ethyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-ethyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-ethyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione is CCC1C(=O)NC2(CCCC2)C(=O)N1CCC(F)(F)F.
What is the InChIKey of 8-ethyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is PTSKDLIMGKEMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-2-9-10(19)17-12(5-3-4-6-12)11(20)18(9)8-7-13(14,15)16/h9H,2-8H2,1H3,(H,17,19).
What are the key properties of 8-ethyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
8-ethyl-9-(3,3,3-trifluoropropyl)-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-ethyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64885889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).