iridium;5-methyl-2-(3,3,6,6-tetrafluoro-4,4,5,5-tetramethylcyclohexen-1-yl)pyridine

C16H18F4IrN- — CID 59005799

IUPACiridium;5-methyl-2-(3,3,6,6-tetrafluoro-4,4,5,5-tetramethylcyclohexen-1-yl)pyridine
SMILESCc1ccc(C2=[C-]C(F)(F)C(C)(C)C(C)(C)C2(F)F)nc1.[Ir]
InChIInChI=1S/C16H18F4N.Ir/c1-10-6-7-12(21-9-10)11-8-15(17,18)13(2,3)14(4,5)16(11,19)20;/h6-7,9H,1-5H3;/q-1;
InChIKeyOLEWSSLTDHEYRB-UHFFFAOYSA-N
MW492.54 g/mol
LogP4.91
Rot. Bonds1

About iridium;5-methyl-2-(3,3,6,6-tetrafluoro-4,4,5,5-tetramethylcyclohexen-1-yl)pyridine

iridium;5-methyl-2-(3,3,6,6-tetrafluoro-4,4,5,5-tetramethylcyclohexen-1-yl)pyridine (PubChem CID 59005799) has the molecular formula C16H18F4IrN- and a molecular weight of 492.54 g/mol. Its IUPAC name is iridium;5-methyl-2-(3,3,6,6-tetrafluoro-4,4,5,5-tetramethylcyclohexen-1-yl)pyridine.

Molecular Properties

Compound Nameiridium;5-methyl-2-(3,3,6,6-tetrafluoro-4,4,5,5-tetramethylcyclohexen-1-yl)pyridine
PubChem CID59005799
Molecular FormulaC16H18F4IrN-
Molecular Weight492.54 g/mol
Exact Mass493.10
IUPAC Nameiridium;5-methyl-2-(3,3,6,6-tetrafluoro-4,4,5,5-tetramethylcyclohexen-1-yl)pyridine
SMILESCc1ccc(C2=[C-]C(F)(F)C(C)(C)C(C)(C)C2(F)F)nc1.[Ir]
InChIInChI=1S/C16H18F4N.Ir/c1-10-6-7-12(21-9-10)11-8-15(17,18)13(2,3)14(4,5)16(11,19)20;/h6-7,9H,1-5H3;/q-1;
InChIKeyOLEWSSLTDHEYRB-UHFFFAOYSA-N
XLogP4.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iridium;5-methyl-2-(3,3,6,6-tetrafluoro-4,4,5,5-tetramethylcyclohexen-1-yl)pyridine?
The IUPAC name of iridium;5-methyl-2-(3,3,6,6-tetrafluoro-4,4,5,5-tetramethylcyclohexen-1-yl)pyridine (CID 59005799) is iridium;5-methyl-2-(3,3,6,6-tetrafluoro-4,4,5,5-tetramethylcyclohexen-1-yl)pyridine.
What is the SMILES notation for iridium;5-methyl-2-(3,3,6,6-tetrafluoro-4,4,5,5-tetramethylcyclohexen-1-yl)pyridine?
The canonical SMILES for iridium;5-methyl-2-(3,3,6,6-tetrafluoro-4,4,5,5-tetramethylcyclohexen-1-yl)pyridine is Cc1ccc(C2=[C-]C(F)(F)C(C)(C)C(C)(C)C2(F)F)nc1.[Ir].
What is the InChIKey of iridium;5-methyl-2-(3,3,6,6-tetrafluoro-4,4,5,5-tetramethylcyclohexen-1-yl)pyridine?
The InChIKey is OLEWSSLTDHEYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N.Ir/c1-10-6-7-12(21-9-10)11-8-15(17,18)13(2,3)14(4,5)16(11,19)20;/h6-7,9H,1-5H3;/q-1;.
What are the key properties of iridium;5-methyl-2-(3,3,6,6-tetrafluoro-4,4,5,5-tetramethylcyclohexen-1-yl)pyridine?
iridium;5-methyl-2-(3,3,6,6-tetrafluoro-4,4,5,5-tetramethylcyclohexen-1-yl)pyridine has a molecular weight of 492.54 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;5-methyl-2-(3,3,6,6-tetrafluoro-4,4,5,5-tetramethylcyclohexen-1-yl)pyridine is sourced from PubChem (CID 59005799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).