iridium;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3H-pyrrole

C10H4F8IrN- — CID 59005819

IUPACiridium;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3H-pyrrole
SMILESFC1(F)[C-]=C(C2=NC=CC2)C(F)(F)C(F)(F)C1(F)F.[Ir]
InChIInChI=1S/C10H4F8N.Ir/c11-7(12)4-5(6-2-1-3-19-6)8(13,14)10(17,18)9(7,15)16;/h1,3H,2H2;/q-1;
InChIKeyVBWCKKMGUOYRIN-UHFFFAOYSA-N
MW482.35 g/mol
LogP3.63
Rot. Bonds1

About iridium;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3H-pyrrole

iridium;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3H-pyrrole (PubChem CID 59005819) has the molecular formula C10H4F8IrN- and a molecular weight of 482.35 g/mol. Its IUPAC name is iridium;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3H-pyrrole.

Molecular Properties

Compound Nameiridium;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3H-pyrrole
PubChem CID59005819
Molecular FormulaC10H4F8IrN-
Molecular Weight482.35 g/mol
Exact Mass482.99
IUPAC Nameiridium;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3H-pyrrole
SMILESFC1(F)[C-]=C(C2=NC=CC2)C(F)(F)C(F)(F)C1(F)F.[Ir]
InChIInChI=1S/C10H4F8N.Ir/c11-7(12)4-5(6-2-1-3-19-6)8(13,14)10(17,18)9(7,15)16;/h1,3H,2H2;/q-1;
InChIKeyVBWCKKMGUOYRIN-UHFFFAOYSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.35
LogP ≤ 53.63
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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Related Compounds

iridium;5-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-2H-pyrrole
CID 59005739
5-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-2H-pyrrole
CID 59005740
2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3H-pyrrole
CID 59005820

Frequently Asked Questions

What is the IUPAC name of iridium;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3H-pyrrole?
The IUPAC name of iridium;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3H-pyrrole (CID 59005819) is iridium;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3H-pyrrole.
What is the SMILES notation for iridium;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3H-pyrrole?
The canonical SMILES for iridium;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3H-pyrrole is FC1(F)[C-]=C(C2=NC=CC2)C(F)(F)C(F)(F)C1(F)F.[Ir].
What is the InChIKey of iridium;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3H-pyrrole?
The InChIKey is VBWCKKMGUOYRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F8N.Ir/c11-7(12)4-5(6-2-1-3-19-6)8(13,14)10(17,18)9(7,15)16;/h1,3H,2H2;/q-1;.
What are the key properties of iridium;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3H-pyrrole?
iridium;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3H-pyrrole has a molecular weight of 482.35 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-3H-pyrrole is sourced from PubChem (CID 59005819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).