N-(4,6-dichloro-2-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide

C10H6Cl2F6N2O — CID 170315457

IUPACN-(4,6-dichloro-2-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide
SMILESCC(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cc(Cl)cc(Cl)n1
InChIInChI=1S/C10H6Cl2F6N2O/c1-8(13,14)10(17,18)9(15,16)7(21)20-6-3-4(11)2-5(12)19-6/h2-3H,1H3,(H,19,20,21)
InChIKeyGDKQCCNITGFDIY-UHFFFAOYSA-N
MW355.07 g/mol
LogP4.25
Rot. Bonds4

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

N-(4,6-dichloro-2-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide (PubChem CID 170315457) has the molecular formula C10H6Cl2F6N2O and a molecular weight of 355.07 g/mol. Its IUPAC name is N-(4,6-dichloro-2-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide.

Molecular Properties

Compound NameN-(4,6-dichloro-2-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide
PubChem CID170315457
Molecular FormulaC10H6Cl2F6N2O
Molecular Weight355.07 g/mol
Exact Mass353.98
IUPAC NameN-(4,6-dichloro-2-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide
SMILESCC(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cc(Cl)cc(Cl)n1
InChIInChI=1S/C10H6Cl2F6N2O/c1-8(13,14)10(17,18)9(15,16)7(21)20-6-3-4(11)2-5(12)19-6/h2-3H,1H3,(H,19,20,21)
InChIKeyGDKQCCNITGFDIY-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.07
LogP ≤ 54.25
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-(4,6-dichloro-2-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide?
The IUPAC name of N-(4,6-dichloro-2-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide (CID 170315457) is N-(4,6-dichloro-2-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide.
What is the SMILES notation for N-(4,6-dichloro-2-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide?
The canonical SMILES for N-(4,6-dichloro-2-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide is CC(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cc(Cl)cc(Cl)n1.
What is the InChIKey of N-(4,6-dichloro-2-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide?
The InChIKey is GDKQCCNITGFDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F6N2O/c1-8(13,14)10(17,18)9(15,16)7(21)20-6-3-4(11)2-5(12)19-6/h2-3H,1H3,(H,19,20,21).
What are the key properties of N-(4,6-dichloro-2-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide?
N-(4,6-dichloro-2-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide has a molecular weight of 355.07 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-2-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide is sourced from PubChem (CID 170315457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).