N-(2,6-dichloro-4-pyridinyl)-2,2,3,3,4,4-hexafluoro-N-methylpentanamide

C11H8Cl2F6N2O — CID 170315352

IUPACN-(2,6-dichloro-4-pyridinyl)-2,2,3,3,4,4-hexafluoro-N-methylpentanamide
SMILESCN(C(=O)C(F)(F)C(F)(F)C(C)(F)F)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H8Cl2F6N2O/c1-9(14,15)11(18,19)10(16,17)8(22)21(2)5-3-6(12)20-7(13)4-5/h3-4H,1-2H3
InChIKeyJOJHJJQHGBNYMM-UHFFFAOYSA-N
MW369.09 g/mol
LogP4.28
Rot. Bonds4

About N-(2,6-dichloro-4-pyridinyl)-2,2,3,3,4,4-hexafluoro-N-methylpentanamide

N-(2,6-dichloro-4-pyridinyl)-2,2,3,3,4,4-hexafluoro-N-methylpentanamide (PubChem CID 170315352) has the molecular formula C11H8Cl2F6N2O and a molecular weight of 369.09 g/mol. Its IUPAC name is N-(2,6-dichloro-4-pyridinyl)-2,2,3,3,4,4-hexafluoro-N-methylpentanamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-pyridinyl)-2,2,3,3,4,4-hexafluoro-N-methylpentanamide
PubChem CID170315352
Molecular FormulaC11H8Cl2F6N2O
Molecular Weight369.09 g/mol
Exact Mass367.99
IUPAC NameN-(2,6-dichloro-4-pyridinyl)-2,2,3,3,4,4-hexafluoro-N-methylpentanamide
SMILESCN(C(=O)C(F)(F)C(F)(F)C(C)(F)F)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H8Cl2F6N2O/c1-9(14,15)11(18,19)10(16,17)8(22)21(2)5-3-6(12)20-7(13)4-5/h3-4H,1-2H3
InChIKeyJOJHJJQHGBNYMM-UHFFFAOYSA-N
XLogP4.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.09
LogP ≤ 54.28
H-Bond Donors ≤ 50
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-dichloro-4-pyridinyl)-2,2,3,3,4,4-hexafluoro-N-methylpentanamide?
The IUPAC name of N-(2,6-dichloro-4-pyridinyl)-2,2,3,3,4,4-hexafluoro-N-methylpentanamide (CID 170315352) is N-(2,6-dichloro-4-pyridinyl)-2,2,3,3,4,4-hexafluoro-N-methylpentanamide.
What is the SMILES notation for N-(2,6-dichloro-4-pyridinyl)-2,2,3,3,4,4-hexafluoro-N-methylpentanamide?
The canonical SMILES for N-(2,6-dichloro-4-pyridinyl)-2,2,3,3,4,4-hexafluoro-N-methylpentanamide is CN(C(=O)C(F)(F)C(F)(F)C(C)(F)F)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of N-(2,6-dichloro-4-pyridinyl)-2,2,3,3,4,4-hexafluoro-N-methylpentanamide?
The InChIKey is JOJHJJQHGBNYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F6N2O/c1-9(14,15)11(18,19)10(16,17)8(22)21(2)5-3-6(12)20-7(13)4-5/h3-4H,1-2H3.
What are the key properties of N-(2,6-dichloro-4-pyridinyl)-2,2,3,3,4,4-hexafluoro-N-methylpentanamide?
N-(2,6-dichloro-4-pyridinyl)-2,2,3,3,4,4-hexafluoro-N-methylpentanamide has a molecular weight of 369.09 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-pyridinyl)-2,2,3,3,4,4-hexafluoro-N-methylpentanamide is sourced from PubChem (CID 170315352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).