2,2,3,3,3-pentafluoro-N-pyridin-4-ylpropanamide

C8H5F5N2O — CID 617546

IUPAC2,2,3,3,3-pentafluoro-N-pyridin-4-ylpropanamide
SMILESO=C(Nc1ccncc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F5N2O/c9-7(10,8(11,12)13)6(16)15-5-1-3-14-4-2-5/h1-4H,(H,14,15,16)
InChIKeyHUXGYSHVYWDAAJ-UHFFFAOYSA-N
MW240.13 g/mol
LogP2.22
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-N-pyridin-4-ylpropanamide

2,2,3,3,3-pentafluoro-N-pyridin-4-ylpropanamide (PubChem CID 617546) has the molecular formula C8H5F5N2O and a molecular weight of 240.13 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-pyridin-4-ylpropanamide
PubChem CID617546
Molecular FormulaC8H5F5N2O
Molecular Weight240.13 g/mol
Exact Mass240.03
IUPAC Name2,2,3,3,3-pentafluoro-N-pyridin-4-ylpropanamide
SMILESO=C(Nc1ccncc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F5N2O/c9-7(10,8(11,12)13)6(16)15-5-1-3-14-4-2-5/h1-4H,(H,14,15,16)
InChIKeyHUXGYSHVYWDAAJ-UHFFFAOYSA-N
XLogP2.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 52.22
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 2,2,3,3,3-pentafluoro-N-pyridin-4-ylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-pyridin-4-ylpropanamide (CID 617546) is 2,2,3,3,3-pentafluoro-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-pyridin-4-ylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-pyridin-4-ylpropanamide is O=C(Nc1ccncc1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-pyridin-4-ylpropanamide?
The InChIKey is HUXGYSHVYWDAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O/c9-7(10,8(11,12)13)6(16)15-5-1-3-14-4-2-5/h1-4H,(H,14,15,16).
What are the key properties of 2,2,3,3,3-pentafluoro-N-pyridin-4-ylpropanamide?
2,2,3,3,3-pentafluoro-N-pyridin-4-ylpropanamide has a molecular weight of 240.13 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 617546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).