2,2,3,3,4,4,5,5-octafluoro-6-phenylpyridine

C11H5F8N — CID 15155243

IUPAC2,2,3,3,4,4,5,5-octafluoro-6-phenylpyridine
SMILESFC1(F)N=C(c2ccccc2)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H5F8N/c12-8(13)7(6-4-2-1-3-5-6)20-11(18,19)10(16,17)9(8,14)15/h1-5H
InChIKeyFIBNYJGNZYWHQR-UHFFFAOYSA-N
MW303.15 g/mol
LogP3.99
Rot. Bonds1

About 2,2,3,3,4,4,5,5-octafluoro-6-phenylpyridine

2,2,3,3,4,4,5,5-octafluoro-6-phenylpyridine (PubChem CID 15155243) has the molecular formula C11H5F8N and a molecular weight of 303.15 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-6-phenylpyridine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-6-phenylpyridine
PubChem CID15155243
Molecular FormulaC11H5F8N
Molecular Weight303.15 g/mol
Exact Mass303.03
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-6-phenylpyridine
SMILESFC1(F)N=C(c2ccccc2)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H5F8N/c12-8(13)7(6-4-2-1-3-5-6)20-11(18,19)10(16,17)9(8,14)15/h1-5H
InChIKeyFIBNYJGNZYWHQR-UHFFFAOYSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-6-phenylpyridine?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-6-phenylpyridine (CID 15155243) is 2,2,3,3,4,4,5,5-octafluoro-6-phenylpyridine.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-6-phenylpyridine?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-6-phenylpyridine is FC1(F)N=C(c2ccccc2)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-6-phenylpyridine?
The InChIKey is FIBNYJGNZYWHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F8N/c12-8(13)7(6-4-2-1-3-5-6)20-11(18,19)10(16,17)9(8,14)15/h1-5H.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-6-phenylpyridine?
2,2,3,3,4,4,5,5-octafluoro-6-phenylpyridine has a molecular weight of 303.15 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-6-phenylpyridine is sourced from PubChem (CID 15155243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).