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

C9H3F6IrN2- — CID 59005824

IUPAC2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyrimidine;iridium
SMILESFC1(F)[C-]=C(c2ncccn2)C(F)(F)C1(F)F.[Ir]
InChIInChI=1S/C9H3F6N2.Ir/c10-7(11)4-5(6-16-2-1-3-17-6)8(12,13)9(7,14)15;/h1-3H;/q-1;
InChIKeyDHFFWESVILBTHY-UHFFFAOYSA-N
MW445.34 g/mol
LogP2.58
Rot. Bonds1

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

2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyrimidine;iridium (PubChem CID 59005824) has the molecular formula C9H3F6IrN2- and a molecular weight of 445.34 g/mol. Its IUPAC name is 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyrimidine;iridium.

Molecular Properties

Compound Name2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyrimidine;iridium
PubChem CID59005824
Molecular FormulaC9H3F6IrN2-
Molecular Weight445.34 g/mol
Exact Mass445.98
IUPAC Name2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyrimidine;iridium
SMILESFC1(F)[C-]=C(c2ncccn2)C(F)(F)C1(F)F.[Ir]
InChIInChI=1S/C9H3F6N2.Ir/c10-7(11)4-5(6-16-2-1-3-17-6)8(12,13)9(7,14)15;/h1-3H;/q-1;
InChIKeyDHFFWESVILBTHY-UHFFFAOYSA-N
XLogP2.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyrimidine;iridium?
The IUPAC name of 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyrimidine;iridium (CID 59005824) is 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyrimidine;iridium.
What is the SMILES notation for 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyrimidine;iridium?
The canonical SMILES for 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyrimidine;iridium is FC1(F)[C-]=C(c2ncccn2)C(F)(F)C1(F)F.[Ir].
What is the InChIKey of 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyrimidine;iridium?
The InChIKey is DHFFWESVILBTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F6N2.Ir/c10-7(11)4-5(6-16-2-1-3-17-6)8(12,13)9(7,14)15;/h1-3H;/q-1;.
What are the key properties of 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyrimidine;iridium?
2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyrimidine;iridium has a molecular weight of 445.34 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyrimidine;iridium is sourced from PubChem (CID 59005824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).