iridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole

C10H5F8IrN2- — CID 59005808

IUPACiridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole
SMILESCn1ccnc1C1=[C-]C(F)(F)C(F)(F)C(F)(F)C1(F)F.[Ir]
InChIInChI=1S/C10H5F8N2.Ir/c1-20-3-2-19-6(20)5-4-7(11,12)9(15,16)10(17,18)8(5,13)14;/h2-3H,1H3;/q-1;
InChIKeyVTGWGLMBBKUDGZ-UHFFFAOYSA-N
MW497.37 g/mol
LogP3.16
Rot. Bonds1

About iridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole

iridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole (PubChem CID 59005808) has the molecular formula C10H5F8IrN2- and a molecular weight of 497.37 g/mol. Its IUPAC name is iridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole.

Molecular Properties

Compound Nameiridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole
PubChem CID59005808
Molecular FormulaC10H5F8IrN2-
Molecular Weight497.37 g/mol
Exact Mass498.00
IUPAC Nameiridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole
SMILESCn1ccnc1C1=[C-]C(F)(F)C(F)(F)C(F)(F)C1(F)F.[Ir]
InChIInChI=1S/C10H5F8N2.Ir/c1-20-3-2-19-6(20)5-4-7(11,12)9(15,16)10(17,18)8(5,13)14;/h2-3H,1H3;/q-1;
InChIKeyVTGWGLMBBKUDGZ-UHFFFAOYSA-N
XLogP3.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Iridium;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole
CID 58202901
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-1-methylimidazole;iridium
CID 58769473
1,5-Dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole;iridium
CID 59005654
[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole
CID 59005766
2-(Cyclohexen-1-yl)-1-methylimidazole
CID 44195338
2-(6,6-Difluorocyclohexen-1-yl)-1-methylimidazole
CID 59005672
1-Methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole
CID 59005767
6-fluoro-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
CID 58517581
5-fluoro-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
CID 58517721
iridium;6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide
CID 58517724
CID 58517794
CID 58517794
CID 58517802
CID 58517802

Frequently Asked Questions

What is the IUPAC name of iridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole?
The IUPAC name of iridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole (CID 59005808) is iridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole.
What is the SMILES notation for iridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole?
The canonical SMILES for iridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole is Cn1ccnc1C1=[C-]C(F)(F)C(F)(F)C(F)(F)C1(F)F.[Ir].
What is the InChIKey of iridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole?
The InChIKey is VTGWGLMBBKUDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F8N2.Ir/c1-20-3-2-19-6(20)5-4-7(11,12)9(15,16)10(17,18)8(5,13)14;/h2-3H,1H3;/q-1;.
What are the key properties of iridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole?
iridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole has a molecular weight of 497.37 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole is sourced from PubChem (CID 59005808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).