2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione

C16H20F8N2O2 — CID 3095784

IUPAC2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione
SMILESO=C(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N1CCCCC1
InChIInChI=1S/C16H20F8N2O2/c17-13(18,11(27)25-7-3-1-4-8-25)15(21,22)16(23,24)14(19,20)12(28)26-9-5-2-6-10-26/h1-10H2
InChIKeyNTSZSUHUGKHJJN-UHFFFAOYSA-N
MW424.33 g/mol
LogP3.55
Rot. Bonds5

About 2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione

2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione (PubChem CID 3095784) has the molecular formula C16H20F8N2O2 and a molecular weight of 424.33 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione
PubChem CID3095784
Molecular FormulaC16H20F8N2O2
Molecular Weight424.33 g/mol
Exact Mass424.14
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione
SMILESO=C(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N1CCCCC1
InChIInChI=1S/C16H20F8N2O2/c17-13(18,11(27)25-7-3-1-4-8-25)15(21,22)16(23,24)14(19,20)12(28)26-9-5-2-6-10-26/h1-10H2
InChIKeyNTSZSUHUGKHJJN-UHFFFAOYSA-N
XLogP3.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione with MolForge

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Related Compounds

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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-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione
CID 4999121
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
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(4-methylpiperazin-1-yl)heptan-1-one
CID 5210023
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
9-chloro-1-(4-ethylpiperazin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-one
CID 4120977
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
1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-one
CID 98455652

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione (CID 3095784) is 2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione is O=C(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N1CCCCC1.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione?
The InChIKey is NTSZSUHUGKHJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F8N2O2/c17-13(18,11(27)25-7-3-1-4-8-25)15(21,22)16(23,24)14(19,20)12(28)26-9-5-2-6-10-26/h1-10H2.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione?
2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione has a molecular weight of 424.33 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione is sourced from PubChem (CID 3095784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).