3-(5,5,5-trifluoropentyl)-1,3-diazaspiro[4.4]nonan-4-one

C12H19F3N2O — CID 83260126

IUPAC3-(5,5,5-trifluoropentyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESO=C1N(CCCCC(F)(F)F)CNC12CCCC2
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)7-3-4-8-17-9-16-11(10(17)18)5-1-2-6-11/h16H,1-9H2
InChIKeyAPMXRLKFRZUGIT-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.42
Rot. Bonds4

About 3-(5,5,5-trifluoropentyl)-1,3-diazaspiro[4.4]nonan-4-one

3-(5,5,5-trifluoropentyl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83260126) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-(5,5,5-trifluoropentyl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(5,5,5-trifluoropentyl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83260126
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name3-(5,5,5-trifluoropentyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESO=C1N(CCCCC(F)(F)F)CNC12CCCC2
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)7-3-4-8-17-9-16-11(10(17)18)5-1-2-6-11/h16H,1-9H2
InChIKeyAPMXRLKFRZUGIT-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-decyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83270884
3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83246101
6-(3-methylsulfanylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83256993
9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880199
3-(2-morpholin-4-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83251544
3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 114134810
3-[2-[2-(dimethylamino)ethoxy]ethyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 114128162
3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 83257748
6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83257758
3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 83238067
6-[2-(2-methoxyethoxy)ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83256016
3-ethyl-3-methyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
CID 115522526

Frequently Asked Questions

What is the IUPAC name of 3-(5,5,5-trifluoropentyl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(5,5,5-trifluoropentyl)-1,3-diazaspiro[4.4]nonan-4-one (CID 83260126) is 3-(5,5,5-trifluoropentyl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(5,5,5-trifluoropentyl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(5,5,5-trifluoropentyl)-1,3-diazaspiro[4.4]nonan-4-one is O=C1N(CCCCC(F)(F)F)CNC12CCCC2.
What is the InChIKey of 3-(5,5,5-trifluoropentyl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is APMXRLKFRZUGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)7-3-4-8-17-9-16-11(10(17)18)5-1-2-6-11/h16H,1-9H2.
What are the key properties of 3-(5,5,5-trifluoropentyl)-1,3-diazaspiro[4.4]nonan-4-one?
3-(5,5,5-trifluoropentyl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 264.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5,5-trifluoropentyl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83260126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).