1-tert-butyl-5-fluoro-4-iodoimidazole

C7H10FIN2 — CID 146379617

IUPAC1-tert-butyl-5-fluoro-4-iodoimidazole
SMILESCC(C)(C)n1cnc(I)c1F
InChIInChI=1S/C7H10FIN2/c1-7(2,3)11-4-10-6(9)5(11)8/h4H,1-3H3
InChIKeyOIILCRJNLBYDQO-UHFFFAOYSA-N
MW268.07 g/mol
LogP2.38
Rot. Bonds

About 1-tert-butyl-5-fluoro-4-iodoimidazole

1-tert-butyl-5-fluoro-4-iodoimidazole (PubChem CID 146379617) has the molecular formula C7H10FIN2 and a molecular weight of 268.07 g/mol. Its IUPAC name is 1-tert-butyl-5-fluoro-4-iodoimidazole.

Molecular Properties

Compound Name1-tert-butyl-5-fluoro-4-iodoimidazole
PubChem CID146379617
Molecular FormulaC7H10FIN2
Molecular Weight268.07 g/mol
Exact Mass267.99
IUPAC Name1-tert-butyl-5-fluoro-4-iodoimidazole
SMILESCC(C)(C)n1cnc(I)c1F
InChIInChI=1S/C7H10FIN2/c1-7(2,3)11-4-10-6(9)5(11)8/h4H,1-3H3
InChIKeyOIILCRJNLBYDQO-UHFFFAOYSA-N
XLogP2.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-fluoro-4-iodoimidazole?
The IUPAC name of 1-tert-butyl-5-fluoro-4-iodoimidazole (CID 146379617) is 1-tert-butyl-5-fluoro-4-iodoimidazole.
What is the SMILES notation for 1-tert-butyl-5-fluoro-4-iodoimidazole?
The canonical SMILES for 1-tert-butyl-5-fluoro-4-iodoimidazole is CC(C)(C)n1cnc(I)c1F.
What is the InChIKey of 1-tert-butyl-5-fluoro-4-iodoimidazole?
The InChIKey is OIILCRJNLBYDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FIN2/c1-7(2,3)11-4-10-6(9)5(11)8/h4H,1-3H3.
What are the key properties of 1-tert-butyl-5-fluoro-4-iodoimidazole?
1-tert-butyl-5-fluoro-4-iodoimidazole has a molecular weight of 268.07 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-fluoro-4-iodoimidazole is sourced from PubChem (CID 146379617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).