potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbuta-1,3-diene

C21H30F3KN2O2 — CID 156728692

About potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbuta-1,3-diene

potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbuta-1,3-diene (PubChem CID 156728692) has the molecular formula C21H30F3KN2O2 and a molecular weight of 438.58 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-methylbuta-1,3-diene.

Molecular Properties

• Compound Name: potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbuta-1,3-diene
• PubChem CID: 156728692
• Molecular Formula: C21H30F3KN2O2
• Molecular Weight: 438.58 g/mol
• Exact Mass: 438.19
• IUPAC Name: potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbuta-1,3-diene
• SMILES: C=C(C)C(=C)F.CC(C)CC([C-]=O)n1cc(CCN(C)C)cc(C(F)F)c1=O.[K+]
• InChI: InChI=1S/C16H23F2N2O2.C5H7F.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;1,3H2,2H3;/q-1;;+1
• InChIKey: FZWLTYNCCVYULC-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 42.31 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.58
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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-methylbuta-1,3-diene?

The IUPAC name of potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbuta-1,3-diene (CID 156728692) is potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbuta-1,3-diene.

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-methylbuta-1,3-diene?

The canonical SMILES for potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbuta-1,3-diene is C=C(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-methylbuta-1,3-diene?

The InChIKey is FZWLTYNCCVYULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N2O2.C5H7F.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;1,3H2,2H3;/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-methylbuta-1,3-diene?

potassium;3-(difluoromethyl)-5-[2-(dimethylamino)ethyl]-1-(4-methyl-1-oxopentan-2-yl)pyridin-2-one;2-fluoro-3-methylbuta-1,3-diene has a molecular weight of 438.58 g/mol, XLogP of 1.64, 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-methylbuta-1,3-diene is sourced from PubChem (CID 156728692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).