2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-(trifluoromethyl)pyridine;iridium

C11H3F9IrN- — CID 59005755

IUPAC2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-(trifluoromethyl)pyridine;iridium
SMILESFC(F)(F)c1ccnc(C2=[C-]C(F)(F)C(F)(F)C2(F)F)c1.[Ir]
InChIInChI=1S/C11H3F9N.Ir/c12-8(13)4-6(9(14,15)11(8,19)20)7-3-5(1-2-21-7)10(16,17)18;/h1-3H;/q-1;
InChIKeyCERODFOMNYJEGW-UHFFFAOYSA-N
MW512.35 g/mol
LogP4.20
Rot. Bonds1

About 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-(trifluoromethyl)pyridine;iridium

2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-(trifluoromethyl)pyridine;iridium (PubChem CID 59005755) has the molecular formula C11H3F9IrN- and a molecular weight of 512.35 g/mol. Its IUPAC name is 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-(trifluoromethyl)pyridine;iridium.

Molecular Properties

Compound Name2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-(trifluoromethyl)pyridine;iridium
PubChem CID59005755
Molecular FormulaC11H3F9IrN-
Molecular Weight512.35 g/mol
Exact Mass512.98
IUPAC Name2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-(trifluoromethyl)pyridine;iridium
SMILESFC(F)(F)c1ccnc(C2=[C-]C(F)(F)C(F)(F)C2(F)F)c1.[Ir]
InChIInChI=1S/C11H3F9N.Ir/c12-8(13)4-6(9(14,15)11(8,19)20)7-3-5(1-2-21-7)10(16,17)18;/h1-3H;/q-1;
InChIKeyCERODFOMNYJEGW-UHFFFAOYSA-N
XLogP4.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-(trifluoromethyl)pyridine;iridium?
The IUPAC name of 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-(trifluoromethyl)pyridine;iridium (CID 59005755) is 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-(trifluoromethyl)pyridine;iridium.
What is the SMILES notation for 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-(trifluoromethyl)pyridine;iridium?
The canonical SMILES for 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-(trifluoromethyl)pyridine;iridium is FC(F)(F)c1ccnc(C2=[C-]C(F)(F)C(F)(F)C2(F)F)c1.[Ir].
What is the InChIKey of 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-(trifluoromethyl)pyridine;iridium?
The InChIKey is CERODFOMNYJEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F9N.Ir/c12-8(13)4-6(9(14,15)11(8,19)20)7-3-5(1-2-21-7)10(16,17)18;/h1-3H;/q-1;.
What are the key properties of 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-(trifluoromethyl)pyridine;iridium?
2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-(trifluoromethyl)pyridine;iridium has a molecular weight of 512.35 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)-4-(trifluoromethyl)pyridine;iridium is sourced from PubChem (CID 59005755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).