2,2,3,3,4,4,4-heptafluoro-N-pyridin-4-ylbutanamide

C9H5F7N2O — CID 4244480

IUPAC2,2,3,3,4,4,4-heptafluoro-N-pyridin-4-ylbutanamide
SMILESO=C(Nc1ccncc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F7N2O/c10-7(11,8(12,13)9(14,15)16)6(19)18-5-1-3-17-4-2-5/h1-4H,(H,17,18,19)
InChIKeyRJBHUHDXWWLXBF-UHFFFAOYSA-N
MW290.14 g/mol
LogP2.85
Rot. Bonds3

About 2,2,3,3,4,4,4-heptafluoro-N-pyridin-4-ylbutanamide

2,2,3,3,4,4,4-heptafluoro-N-pyridin-4-ylbutanamide (PubChem CID 4244480) has the molecular formula C9H5F7N2O and a molecular weight of 290.14 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-pyridin-4-ylbutanamide
PubChem CID4244480
Molecular FormulaC9H5F7N2O
Molecular Weight290.14 g/mol
Exact Mass290.03
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-pyridin-4-ylbutanamide
SMILESO=C(Nc1ccncc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F7N2O/c10-7(11,8(12,13)9(14,15)16)6(19)18-5-1-3-17-4-2-5/h1-4H,(H,17,18,19)
InChIKeyRJBHUHDXWWLXBF-UHFFFAOYSA-N
XLogP2.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,2,3,3,4,4,4-heptafluoro-N-pyridin-4-ylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-pyridin-4-ylbutanamide (CID 4244480) is 2,2,3,3,4,4,4-heptafluoro-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-pyridin-4-ylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-pyridin-4-ylbutanamide is O=C(Nc1ccncc1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-pyridin-4-ylbutanamide?
The InChIKey is RJBHUHDXWWLXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F7N2O/c10-7(11,8(12,13)9(14,15)16)6(19)18-5-1-3-17-4-2-5/h1-4H,(H,17,18,19).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-pyridin-4-ylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N-pyridin-4-ylbutanamide has a molecular weight of 290.14 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 4244480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).