2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-6-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyridinyl]pyridine

C22H6F26N2 — CID 87987734

IUPAC2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-6-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyridinyl]pyridine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cccc(-c2cccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n2)n1
InChIInChI=1S/C22H6F26N2/c23-11(24,13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)45)9-5-1-3-7(49-9)8-4-2-6-10(50-8)12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(46,47)48/h1-6H
InChIKeyNCCMMRBARORZCG-UHFFFAOYSA-N
MW792.25 g/mol
LogP10.53
Rot. Bonds11

About 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-6-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyridinyl]pyridine

2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-6-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyridinyl]pyridine (PubChem CID 87987734) has the molecular formula C22H6F26N2 and a molecular weight of 792.25 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-6-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-6-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyridinyl]pyridine
PubChem CID87987734
Molecular FormulaC22H6F26N2
Molecular Weight792.25 g/mol
Exact Mass792.01
IUPAC Name2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-6-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyridinyl]pyridine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cccc(-c2cccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n2)n1
InChIInChI=1S/C22H6F26N2/c23-11(24,13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)45)9-5-1-3-7(49-9)8-4-2-6-10(50-8)12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(46,47)48/h1-6H
InChIKeyNCCMMRBARORZCG-UHFFFAOYSA-N
XLogP10.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.25
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-6-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyridinyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-6-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyridinyl]pyridine?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-6-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyridinyl]pyridine (CID 87987734) is 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-6-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-6-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyridinyl]pyridine?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-6-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyridinyl]pyridine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cccc(-c2cccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n2)n1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-6-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyridinyl]pyridine?
The InChIKey is NCCMMRBARORZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H6F26N2/c23-11(24,13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)45)9-5-1-3-7(49-9)8-4-2-6-10(50-8)12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(46,47)48/h1-6H.
What are the key properties of 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-6-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyridinyl]pyridine?
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-6-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyridinyl]pyridine has a molecular weight of 792.25 g/mol, XLogP of 10.53, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-6-[6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 87987734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).