4-tert-butyl-2-fluoro-5-iodo-1-methylimidazole

C8H12FIN2 — CID 146376866

IUPAC4-tert-butyl-2-fluoro-5-iodo-1-methylimidazole
SMILESCn1c(F)nc(C(C)(C)C)c1I
InChIInChI=1S/C8H12FIN2/c1-8(2,3)5-6(10)12(4)7(9)11-5/h1-4H3
InChIKeyNYPZCIMBVIDFQF-UHFFFAOYSA-N
MW282.10 g/mol
LogP2.46
Rot. Bonds

About 4-tert-butyl-2-fluoro-5-iodo-1-methylimidazole

4-tert-butyl-2-fluoro-5-iodo-1-methylimidazole (PubChem CID 146376866) has the molecular formula C8H12FIN2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 4-tert-butyl-2-fluoro-5-iodo-1-methylimidazole.

Molecular Properties

Compound Name4-tert-butyl-2-fluoro-5-iodo-1-methylimidazole
PubChem CID146376866
Molecular FormulaC8H12FIN2
Molecular Weight282.10 g/mol
Exact Mass282.00
IUPAC Name4-tert-butyl-2-fluoro-5-iodo-1-methylimidazole
SMILESCn1c(F)nc(C(C)(C)C)c1I
InChIInChI=1S/C8H12FIN2/c1-8(2,3)5-6(10)12(4)7(9)11-5/h1-4H3
InChIKeyNYPZCIMBVIDFQF-UHFFFAOYSA-N
XLogP2.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 52.46
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 4-tert-butyl-2-fluoro-5-iodo-1-methylimidazole?
The IUPAC name of 4-tert-butyl-2-fluoro-5-iodo-1-methylimidazole (CID 146376866) is 4-tert-butyl-2-fluoro-5-iodo-1-methylimidazole.
What is the SMILES notation for 4-tert-butyl-2-fluoro-5-iodo-1-methylimidazole?
The canonical SMILES for 4-tert-butyl-2-fluoro-5-iodo-1-methylimidazole is Cn1c(F)nc(C(C)(C)C)c1I.
What is the InChIKey of 4-tert-butyl-2-fluoro-5-iodo-1-methylimidazole?
The InChIKey is NYPZCIMBVIDFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FIN2/c1-8(2,3)5-6(10)12(4)7(9)11-5/h1-4H3.
What are the key properties of 4-tert-butyl-2-fluoro-5-iodo-1-methylimidazole?
4-tert-butyl-2-fluoro-5-iodo-1-methylimidazole has a molecular weight of 282.10 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-fluoro-5-iodo-1-methylimidazole is sourced from PubChem (CID 146376866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).