About potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbutane
potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbutane (PubChem CID 156728788) has the molecular formula C21H34F3KN2O2
and a molecular weight of 442.61 g/mol. Its IUPAC name is potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbutane.
Molecular Properties
| Compound Name | potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbutane |
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| PubChem CID | 156728788 |
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| Molecular Formula | C21H34F3KN2O2 |
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| Molecular Weight | 442.61 g/mol |
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| Exact Mass | 442.22 |
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| IUPAC Name | potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbutane |
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| SMILES | CC(C)C(C)F.CC(C)CC([C-]=O)n1cc(CCN(C)C)cc(C(F)F)c1=O.[K+] |
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| InChI | InChI=1S/C16H23F2N2O2.C5H11F.K/c1-11(2)7-13(10-21)20-9-12(5-6-19(3)4)8-14(15(17)18)16(20)22;1-4(2)5(3)6;/h8-9,11,13,15H,5-7H2,1-4H3;4-5H,1-3H3;/q-1;;+1 |
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| InChIKey | RKYJSLFBFNBLAM-UHFFFAOYSA-N |
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| XLogP | 1.59 |
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| TPSA | 42.31 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 29 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 442.61 |
| LogP ≤ 5 | 1.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbutane?
The IUPAC name of potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbutane (CID 156728788) is potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbutane.
What is the SMILES notation for potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbutane?
The canonical SMILES for potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbutane is CC(C)C(C)F.CC(C)CC([C-]=O)n1cc(CCN(C)C)cc(C(F)F)c1=O.[K+].
What is the InChIKey of potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbutane?
The InChIKey is RKYJSLFBFNBLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N2O2.C5H11F.K/c1-11(2)7-13(10-21)20-9-12(5-6-19(3)4)8-14(15(17)18)16(20)22;1-4(2)5(3)6;/h8-9,11,13,15H,5-7H2,1-4H3;4-5H,1-3H3;/q-1;;+1.
What are the key properties of potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbutane?
potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbutane has a molecular weight of 442.61 g/mol, XLogP of 1.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbutane is sourced from PubChem (CID 156728788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).