1-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-3-ethyl-2H-imidazol-2-ide;iridium

C14H16F2IrN2-2 — CID 58106772

IUPAC1-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-3-ethyl-2H-imidazol-2-ide;iridium
SMILESCCN1C=CN(C(C)(C)c2[c-]cc(F)cc2F)[CH-]1.[Ir]
InChIInChI=1S/C14H16F2N2.Ir/c1-4-17-7-8-18(10-17)14(2,3)12-6-5-11(15)9-13(12)16;/h5,7-10H,4H2,1-3H3;/q-2;
InChIKeyCICPEIJZNIHISY-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.23
Rot. Bonds3

About 1-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-3-ethyl-2H-imidazol-2-ide;iridium

1-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-3-ethyl-2H-imidazol-2-ide;iridium (PubChem CID 58106772) has the molecular formula C14H16F2IrN2-2 and a molecular weight of 442.51 g/mol. Its IUPAC name is 1-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-3-ethyl-2H-imidazol-2-ide;iridium.

Molecular Properties

Compound Name1-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-3-ethyl-2H-imidazol-2-ide;iridium
PubChem CID58106772
Molecular FormulaC14H16F2IrN2-2
Molecular Weight442.51 g/mol
Exact Mass443.09
IUPAC Name1-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-3-ethyl-2H-imidazol-2-ide;iridium
SMILESCCN1C=CN(C(C)(C)c2[c-]cc(F)cc2F)[CH-]1.[Ir]
InChIInChI=1S/C14H16F2N2.Ir/c1-4-17-7-8-18(10-17)14(2,3)12-6-5-11(15)9-13(12)16;/h5,7-10H,4H2,1-3H3;/q-2;
InChIKeyCICPEIJZNIHISY-UHFFFAOYSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.23
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-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-3-ethyl-2H-imidazol-2-ide;iridium?
The IUPAC name of 1-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-3-ethyl-2H-imidazol-2-ide;iridium (CID 58106772) is 1-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-3-ethyl-2H-imidazol-2-ide;iridium.
What is the SMILES notation for 1-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-3-ethyl-2H-imidazol-2-ide;iridium?
The canonical SMILES for 1-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-3-ethyl-2H-imidazol-2-ide;iridium is CCN1C=CN(C(C)(C)c2[c-]cc(F)cc2F)[CH-]1.[Ir].
What is the InChIKey of 1-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-3-ethyl-2H-imidazol-2-ide;iridium?
The InChIKey is CICPEIJZNIHISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2.Ir/c1-4-17-7-8-18(10-17)14(2,3)12-6-5-11(15)9-13(12)16;/h5,7-10H,4H2,1-3H3;/q-2;.
What are the key properties of 1-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-3-ethyl-2H-imidazol-2-ide;iridium?
1-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-3-ethyl-2H-imidazol-2-ide;iridium has a molecular weight of 442.51 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorobenzene-6-id-1-yl)propan-2-yl]-3-ethyl-2H-imidazol-2-ide;iridium is sourced from PubChem (CID 58106772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).