N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane

C13H15F7N2O — CID 156646283

IUPACN-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane
SMILESCC.Cc1cc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc(C)n1
InChIInChI=1S/C11H9F7N2O.C2H6/c1-5-3-7(4-6(2)19-5)20-8(21)9(12,13)10(14,15)11(16,17)18;1-2/h3-4H,1-2H3,(H,19,20,21);1-2H3
InChIKeyNXKZKBNYRJDFQW-UHFFFAOYSA-N
MW348.26 g/mol
LogP4.50
Rot. Bonds3

About N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane

N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane (PubChem CID 156646283) has the molecular formula C13H15F7N2O and a molecular weight of 348.26 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane
PubChem CID156646283
Molecular FormulaC13H15F7N2O
Molecular Weight348.26 g/mol
Exact Mass348.11
IUPAC NameN-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane
SMILESCC.Cc1cc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc(C)n1
InChIInChI=1S/C11H9F7N2O.C2H6/c1-5-3-7(4-6(2)19-5)20-8(21)9(12,13)10(14,15)11(16,17)18;1-2/h3-4H,1-2H3,(H,19,20,21);1-2H3
InChIKeyNXKZKBNYRJDFQW-UHFFFAOYSA-N
XLogP4.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane with MolForge

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Related Compounds

4-Amino-2,6-dimethylpyridine
CID 77047
5,7-diethyl-3,4-dimethyl-1H-1,6-naphthyridin-2-one
CID 19093685
N-[2-(trifluoromethyl)-4-pyridinyl]dodecanamide
CID 117976021
N-(2,3,5,6-tetrafluoro-4-pyridinyl)dodecanamide
CID 118730978
2,6-Bis(trifluoromethyl)pyridin-4-amine
CID 615456
N-[2,6-bis(prop-2-enyl)-4-pyridinyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464260
2-oxo-N-[2-[(E)-prop-1-enyl]-6-prop-2-enyl-4-pyridinyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464520
N-(4-Pyridyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctaneamide
CID 15164357
3-(6-methylpyridin-2-yl)-N-phenylpropiolamide
CID 44416001
4-Aminopyridine, N-pentafluoropropionyl-
CID 617546
6'-(trifluoromethyl)-[2,2'-bipyridin]-6(1H)-one
CID 177217690
2,6-Diethylpyridin-4-amine
CID 11789375

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane?
The IUPAC name of N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane (CID 156646283) is N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane.
What is the SMILES notation for N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane?
The canonical SMILES for N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane is CC.Cc1cc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc(C)n1.
What is the InChIKey of N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane?
The InChIKey is NXKZKBNYRJDFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F7N2O.C2H6/c1-5-3-7(4-6(2)19-5)20-8(21)9(12,13)10(14,15)11(16,17)18;1-2/h3-4H,1-2H3,(H,19,20,21);1-2H3.
What are the key properties of N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane?
N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane has a molecular weight of 348.26 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane is sourced from PubChem (CID 156646283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).