N-(2,3,5,6-tetrafluoro-4-pyridinyl)hexanamide

C11H12F4N2O — CID 169302921

IUPACN-(2,3,5,6-tetrafluoro-4-pyridinyl)hexanamide
SMILESCCCCCC(=O)Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C11H12F4N2O/c1-2-3-4-5-6(18)16-9-7(12)10(14)17-11(15)8(9)13/h2-5H2,1H3,(H,16,17,18)
InChIKeyCXAFHILZBREMES-UHFFFAOYSA-N
MW264.22 g/mol
LogP3.16
Rot. Bonds5

About N-(2,3,5,6-tetrafluoro-4-pyridinyl)hexanamide

N-(2,3,5,6-tetrafluoro-4-pyridinyl)hexanamide (PubChem CID 169302921) has the molecular formula C11H12F4N2O and a molecular weight of 264.22 g/mol. Its IUPAC name is N-(2,3,5,6-tetrafluoro-4-pyridinyl)hexanamide.

Molecular Properties

Compound NameN-(2,3,5,6-tetrafluoro-4-pyridinyl)hexanamide
PubChem CID169302921
Molecular FormulaC11H12F4N2O
Molecular Weight264.22 g/mol
Exact Mass264.09
IUPAC NameN-(2,3,5,6-tetrafluoro-4-pyridinyl)hexanamide
SMILESCCCCCC(=O)Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C11H12F4N2O/c1-2-3-4-5-6(18)16-9-7(12)10(14)17-11(15)8(9)13/h2-5H2,1H3,(H,16,17,18)
InChIKeyCXAFHILZBREMES-UHFFFAOYSA-N
XLogP3.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6-tetrafluoro-4-pyridinyl)hexanamide?
The IUPAC name of N-(2,3,5,6-tetrafluoro-4-pyridinyl)hexanamide (CID 169302921) is N-(2,3,5,6-tetrafluoro-4-pyridinyl)hexanamide.
What is the SMILES notation for N-(2,3,5,6-tetrafluoro-4-pyridinyl)hexanamide?
The canonical SMILES for N-(2,3,5,6-tetrafluoro-4-pyridinyl)hexanamide is CCCCCC(=O)Nc1c(F)c(F)nc(F)c1F.
What is the InChIKey of N-(2,3,5,6-tetrafluoro-4-pyridinyl)hexanamide?
The InChIKey is CXAFHILZBREMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O/c1-2-3-4-5-6(18)16-9-7(12)10(14)17-11(15)8(9)13/h2-5H2,1H3,(H,16,17,18).
What are the key properties of N-(2,3,5,6-tetrafluoro-4-pyridinyl)hexanamide?
N-(2,3,5,6-tetrafluoro-4-pyridinyl)hexanamide has a molecular weight of 264.22 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6-tetrafluoro-4-pyridinyl)hexanamide is sourced from PubChem (CID 169302921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).