2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione

C14H20F4N2O2 — CID 4999121

IUPAC2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione
SMILESO=C(N1CCCCC1)C(F)(F)C(F)(F)C(=O)N1CCCCC1
InChIInChI=1S/C14H20F4N2O2/c15-13(16,11(21)19-7-3-1-4-8-19)14(17,18)12(22)20-9-5-2-6-10-20/h1-10H2
InChIKeyZBOHERIHURSWJI-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.28
Rot. Bonds3

About 2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione

2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione (PubChem CID 4999121) has the molecular formula C14H20F4N2O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione
PubChem CID4999121
Molecular FormulaC14H20F4N2O2
Molecular Weight324.32 g/mol
Exact Mass324.15
IUPAC Name2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione
SMILESO=C(N1CCCCC1)C(F)(F)C(F)(F)C(=O)N1CCCCC1
InChIInChI=1S/C14H20F4N2O2/c15-13(16,11(21)19-7-3-1-4-8-19)14(17,18)12(22)20-9-5-2-6-10-20/h1-10H2
InChIKeyZBOHERIHURSWJI-UHFFFAOYSA-N
XLogP2.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione
CID 3095784
1,5-bis(azepan-1-yl)-2,2,3,3,4,4-hexafluoropentane-1,5-dione
CID 5093018
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-1-one
CID 3572182
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-piperidin-1-ylnonan-1-one
CID 3430081
3,3,3-trifluoro-2-hydroxy-2-methyl-1-piperidin-1-ylpropan-1-one
CID 10751652
bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide
CID 58100504
N-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide
CID 88580501
1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione
CID 4167516
2,2,2-trifluoro-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344018
1-(azepan-1-yl)-2,2-dimethylbutan-1-one
CID 4631423
2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 24744899
2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile;ethene
CID 144507445

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione?
The IUPAC name of 2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione (CID 4999121) is 2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione?
The canonical SMILES for 2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione is O=C(N1CCCCC1)C(F)(F)C(F)(F)C(=O)N1CCCCC1.
What is the InChIKey of 2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione?
The InChIKey is ZBOHERIHURSWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4N2O2/c15-13(16,11(21)19-7-3-1-4-8-19)14(17,18)12(22)20-9-5-2-6-10-20/h1-10H2.
What are the key properties of 2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione?
2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione has a molecular weight of 324.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione is sourced from PubChem (CID 4999121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).