2,2,3,3-tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione

C16H24F4N2O2 — CID 2933321

IUPAC2,2,3,3-tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione
SMILESCC1CCCN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCCC(C)C2)C1
InChIInChI=1S/C16H24F4N2O2/c1-11-5-3-7-21(9-11)13(23)15(17,18)16(19,20)14(24)22-8-4-6-12(2)10-22/h11-12H,3-10H2,1-2H3
InChIKeyMTWNAIPUXJTKCG-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.77
Rot. Bonds3

About 2,2,3,3-tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione

2,2,3,3-tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione (PubChem CID 2933321) has the molecular formula C16H24F4N2O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione
PubChem CID2933321
Molecular FormulaC16H24F4N2O2
Molecular Weight352.37 g/mol
Exact Mass352.18
IUPAC Name2,2,3,3-tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione
SMILESCC1CCCN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCCC(C)C2)C1
InChIInChI=1S/C16H24F4N2O2/c1-11-5-3-7-21(9-11)13(23)15(17,18)16(19,20)14(24)22-8-4-6-12(2)10-22/h11-12H,3-10H2,1-2H3
InChIKeyMTWNAIPUXJTKCG-UHFFFAOYSA-N
XLogP2.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.77
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-tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione with MolForge

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Related Compounds

1-Methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one
CID 128926278
1-(3-Azabicyclo[3.1.1]heptan-3-yl)-2,2-difluoro-3-methylbutan-1-one
CID 118459103
2,2-Dimethyl-1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 126750235
1-[4-(Piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 126758346
1-(3,3-Difluoropiperidin-1-yl)propan-1-one;1-(4,4-difluoropiperidin-1-yl)propan-1-one;ethane
CID 143625965
1-[4-(Piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 145286850
Ethane;2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 145287073
1-(4,4-Difluoropiperidin-1-yl)ethanone;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 153586594
1-[4-(1,1-Difluoroethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;methane
CID 161081266
1-[1-(3,3-Difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane
CID 168882066
1-[1-(3,3-Difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone
CID 168882067
Ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone
CID 168882457

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione?
The IUPAC name of 2,2,3,3-tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione (CID 2933321) is 2,2,3,3-tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione?
The canonical SMILES for 2,2,3,3-tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione is CC1CCCN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCCC(C)C2)C1.
What is the InChIKey of 2,2,3,3-tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione?
The InChIKey is MTWNAIPUXJTKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F4N2O2/c1-11-5-3-7-21(9-11)13(23)15(17,18)16(19,20)14(24)22-8-4-6-12(2)10-22/h11-12H,3-10H2,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione?
2,2,3,3-tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione has a molecular weight of 352.37 g/mol, XLogP of 2.77, 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-bis(3-methylpiperidin-1-yl)butane-1,4-dione is sourced from PubChem (CID 2933321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).