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

C10H6F8N2O — CID 170315373

IUPACN-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide
SMILESCC(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cc(F)nc(F)c1
InChIInChI=1S/C10H6F8N2O/c1-8(13,14)10(17,18)9(15,16)7(21)19-4-2-5(11)20-6(12)3-4/h2-3H,1H3,(H,19,20,21)
InChIKeyJJAVODMALSFECQ-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.22
Rot. Bonds4

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

N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide (PubChem CID 170315373) has the molecular formula C10H6F8N2O and a molecular weight of 322.16 g/mol. Its IUPAC name is N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide.

Molecular Properties

Compound NameN-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide
PubChem CID170315373
Molecular FormulaC10H6F8N2O
Molecular Weight322.16 g/mol
Exact Mass322.04
IUPAC NameN-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide
SMILESCC(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cc(F)nc(F)c1
InChIInChI=1S/C10H6F8N2O/c1-8(13,14)10(17,18)9(15,16)7(21)19-4-2-5(11)20-6(12)3-4/h2-3H,1H3,(H,19,20,21)
InChIKeyJJAVODMALSFECQ-UHFFFAOYSA-N
XLogP3.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.22
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-hexafluoropentanamide?
The IUPAC name of N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide (CID 170315373) is N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide.
What is the SMILES notation for N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide?
The canonical SMILES for N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide is CC(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cc(F)nc(F)c1.
What is the InChIKey of N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide?
The InChIKey is JJAVODMALSFECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F8N2O/c1-8(13,14)10(17,18)9(15,16)7(21)19-4-2-5(11)20-6(12)3-4/h2-3H,1H3,(H,19,20,21).
What are the key properties of N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide?
N-(2,6-difluoro-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide has a molecular weight of 322.16 g/mol, XLogP of 3.22, 4 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-hexafluoropentanamide is sourced from PubChem (CID 170315373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).