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

C11H9F9N2O — CID 156646256

IUPACN-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane
SMILESCC.O=C(Nc1cc(F)nc(F)c1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H3F9N2O.C2H6/c10-4-1-3(2-5(11)20-4)19-6(21)7(12,13)8(14,15)9(16,17)18;1-2/h1-2H,(H,19,20,21);1-2H3
InChIKeyXMZPRFTUWBAGLZ-UHFFFAOYSA-N
MW356.19 g/mol
LogP4.16
Rot. Bonds3

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

N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane (PubChem CID 156646256) has the molecular formula C11H9F9N2O and a molecular weight of 356.19 g/mol. Its IUPAC name is N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane.

Molecular Properties

Compound NameN-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane
PubChem CID156646256
Molecular FormulaC11H9F9N2O
Molecular Weight356.19 g/mol
Exact Mass356.06
IUPAC NameN-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane
SMILESCC.O=C(Nc1cc(F)nc(F)c1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H3F9N2O.C2H6/c10-4-1-3(2-5(11)20-4)19-6(21)7(12,13)8(14,15)9(16,17)18;1-2/h1-2H,(H,19,20,21);1-2H3
InChIKeyXMZPRFTUWBAGLZ-UHFFFAOYSA-N
XLogP4.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.19
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane?
The IUPAC name of N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane (CID 156646256) is N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane.
What is the SMILES notation for N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane?
The canonical SMILES for N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane is CC.O=C(Nc1cc(F)nc(F)c1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane?
The InChIKey is XMZPRFTUWBAGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F9N2O.C2H6/c10-4-1-3(2-5(11)20-4)19-6(21)7(12,13)8(14,15)9(16,17)18;1-2/h1-2H,(H,19,20,21);1-2H3.
What are the key properties of N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane?
N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane has a molecular weight of 356.19 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide;ethane is sourced from PubChem (CID 156646256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).