1-(5-ethyl-2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium

C11H9F2IrN2- — CID 58621579

IUPAC1-(5-ethyl-2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium
SMILESCCc1[c-]c(-n2cccn2)c(F)cc1F.[Ir]
InChIInChI=1S/C11H9F2N2.Ir/c1-2-8-6-11(10(13)7-9(8)12)15-5-3-4-14-15;/h3-5,7H,2H2,1H3;/q-1;
InChIKeySGWSKKBAJVSDDF-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.51
Rot. Bonds2

About 1-(5-ethyl-2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium

1-(5-ethyl-2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium (PubChem CID 58621579) has the molecular formula C11H9F2IrN2- and a molecular weight of 399.42 g/mol. Its IUPAC name is 1-(5-ethyl-2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium.

Molecular Properties

Compound Name1-(5-ethyl-2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium
PubChem CID58621579
Molecular FormulaC11H9F2IrN2-
Molecular Weight399.42 g/mol
Exact Mass400.04
IUPAC Name1-(5-ethyl-2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium
SMILESCCc1[c-]c(-n2cccn2)c(F)cc1F.[Ir]
InChIInChI=1S/C11H9F2N2.Ir/c1-2-8-6-11(10(13)7-9(8)12)15-5-3-4-14-15;/h3-5,7H,2H2,1H3;/q-1;
InChIKeySGWSKKBAJVSDDF-UHFFFAOYSA-N
XLogP2.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(5-ethyl-2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium?
The IUPAC name of 1-(5-ethyl-2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium (CID 58621579) is 1-(5-ethyl-2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium.
What is the SMILES notation for 1-(5-ethyl-2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium?
The canonical SMILES for 1-(5-ethyl-2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium is CCc1[c-]c(-n2cccn2)c(F)cc1F.[Ir].
What is the InChIKey of 1-(5-ethyl-2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium?
The InChIKey is SGWSKKBAJVSDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N2.Ir/c1-2-8-6-11(10(13)7-9(8)12)15-5-3-4-14-15;/h3-5,7H,2H2,1H3;/q-1;.
What are the key properties of 1-(5-ethyl-2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium?
1-(5-ethyl-2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium has a molecular weight of 399.42 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2,4-difluorobenzene-6-id-1-yl)pyrazole;iridium is sourced from PubChem (CID 58621579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).