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

C13H19F3N2O2 — CID 64874593

IUPAC8-propan-2-yl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC(C)C1NC(=O)C2(CCCC2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C13H19F3N2O2/c1-8(2)9-10(19)18(7-13(14,15)16)12(11(20)17-9)5-3-4-6-12/h8-9H,3-7H2,1-2H3,(H,17,20)
InChIKeyAAIJWBYDFKJNLF-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.84
Rot. Bonds2

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

8-propan-2-yl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64874593) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 8-propan-2-yl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-propan-2-yl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64874593
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name8-propan-2-yl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCC(C)C1NC(=O)C2(CCCC2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C13H19F3N2O2/c1-8(2)9-10(19)18(7-13(14,15)16)12(11(20)17-9)5-3-4-6-12/h8-9H,3-7H2,1-2H3,(H,17,20)
InChIKeyAAIJWBYDFKJNLF-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-propan-2-yl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione with MolForge

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Related Compounds

4-(Cyclopentanecarbonyl)piperazin-2-one
CID 833668
Alaptide
CID 119329
8-Methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 541931
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 90674949
N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 90674950
Cyclo(glycine-(1-amino-1-cyclopentane)carbonyl)
CID 146164
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide
CID 14877502
(3S,6S)-3-(4-aminobutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 57393165
(2S)-2-[2-oxo-4-(3,3,3-trifluoropropyl)pyrrolidin-1-yl]butanamide
CID 9921497
2-[(4S)-4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9942923
N1-((1-cyclopentylpiperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49751134
Pipecolyl-leucyl-glycinamide
CID 128422

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-propan-2-yl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64874593) is 8-propan-2-yl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-propan-2-yl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-propan-2-yl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is CC(C)C1NC(=O)C2(CCCC2)N(CC(F)(F)F)C1=O.
What is the InChIKey of 8-propan-2-yl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is AAIJWBYDFKJNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-8(2)9-10(19)18(7-13(14,15)16)12(11(20)17-9)5-3-4-6-12/h8-9H,3-7H2,1-2H3,(H,17,20).
What are the key properties of 8-propan-2-yl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
8-propan-2-yl-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 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-6-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64874593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).