2,2,3,3,3-pentafluoro-N-[6-(2,2,3,3,3-pentafluoropropanoylamino)-2-pyridinyl]propanamide

C11H5F10N3O2 — CID 3109835

IUPAC2,2,3,3,3-pentafluoro-N-[6-(2,2,3,3,3-pentafluoropropanoylamino)-2-pyridinyl]propanamide
SMILESO=C(Nc1cccc(NC(=O)C(F)(F)C(F)(F)F)n1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5F10N3O2/c12-8(13,10(16,17)18)6(25)23-4-2-1-3-5(22-4)24-7(26)9(14,15)11(19,20)21/h1-3H,(H2,22,23,24,25,26)
InChIKeyAPFXDDGVNGFVHX-UHFFFAOYSA-N
MW401.16 g/mol
LogP3.35
Rot. Bonds4

About 2,2,3,3,3-pentafluoro-N-[6-(2,2,3,3,3-pentafluoropropanoylamino)-2-pyridinyl]propanamide

2,2,3,3,3-pentafluoro-N-[6-(2,2,3,3,3-pentafluoropropanoylamino)-2-pyridinyl]propanamide (PubChem CID 3109835) has the molecular formula C11H5F10N3O2 and a molecular weight of 401.16 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[6-(2,2,3,3,3-pentafluoropropanoylamino)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[6-(2,2,3,3,3-pentafluoropropanoylamino)-2-pyridinyl]propanamide
PubChem CID3109835
Molecular FormulaC11H5F10N3O2
Molecular Weight401.16 g/mol
Exact Mass401.02
IUPAC Name2,2,3,3,3-pentafluoro-N-[6-(2,2,3,3,3-pentafluoropropanoylamino)-2-pyridinyl]propanamide
SMILESO=C(Nc1cccc(NC(=O)C(F)(F)C(F)(F)F)n1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5F10N3O2/c12-8(13,10(16,17)18)6(25)23-4-2-1-3-5(22-4)24-7(26)9(14,15)11(19,20)21/h1-3H,(H2,22,23,24,25,26)
InChIKeyAPFXDDGVNGFVHX-UHFFFAOYSA-N
XLogP3.35
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.16
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[6-(2,2,3,3,3-pentafluoropropanoylamino)-2-pyridinyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[6-(2,2,3,3,3-pentafluoropropanoylamino)-2-pyridinyl]propanamide (CID 3109835) is 2,2,3,3,3-pentafluoro-N-[6-(2,2,3,3,3-pentafluoropropanoylamino)-2-pyridinyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[6-(2,2,3,3,3-pentafluoropropanoylamino)-2-pyridinyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[6-(2,2,3,3,3-pentafluoropropanoylamino)-2-pyridinyl]propanamide is O=C(Nc1cccc(NC(=O)C(F)(F)C(F)(F)F)n1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[6-(2,2,3,3,3-pentafluoropropanoylamino)-2-pyridinyl]propanamide?
The InChIKey is APFXDDGVNGFVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F10N3O2/c12-8(13,10(16,17)18)6(25)23-4-2-1-3-5(22-4)24-7(26)9(14,15)11(19,20)21/h1-3H,(H2,22,23,24,25,26).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[6-(2,2,3,3,3-pentafluoropropanoylamino)-2-pyridinyl]propanamide?
2,2,3,3,3-pentafluoro-N-[6-(2,2,3,3,3-pentafluoropropanoylamino)-2-pyridinyl]propanamide has a molecular weight of 401.16 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[6-(2,2,3,3,3-pentafluoropropanoylamino)-2-pyridinyl]propanamide is sourced from PubChem (CID 3109835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).