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

C8H12FIN2 — CID 146377733

IUPAC5-tert-butyl-2-fluoro-4-iodo-1-methylimidazole
SMILESCn1c(F)nc(I)c1C(C)(C)C
InChIInChI=1S/C8H12FIN2/c1-8(2,3)5-6(10)11-7(9)12(5)4/h1-4H3
InChIKeyMIDCGDKLHSNFSI-UHFFFAOYSA-N
MW282.10 g/mol
LogP2.46
Rot. Bonds

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

5-tert-butyl-2-fluoro-4-iodo-1-methylimidazole (PubChem CID 146377733) has the molecular formula C8H12FIN2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 5-tert-butyl-2-fluoro-4-iodo-1-methylimidazole.

Molecular Properties

Compound Name5-tert-butyl-2-fluoro-4-iodo-1-methylimidazole
PubChem CID146377733
Molecular FormulaC8H12FIN2
Molecular Weight282.10 g/mol
Exact Mass282.00
IUPAC Name5-tert-butyl-2-fluoro-4-iodo-1-methylimidazole
SMILESCn1c(F)nc(I)c1C(C)(C)C
InChIInChI=1S/C8H12FIN2/c1-8(2,3)5-6(10)11-7(9)12(5)4/h1-4H3
InChIKeyMIDCGDKLHSNFSI-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 5-tert-butyl-2-fluoro-4-iodo-1-methylimidazole?
The IUPAC name of 5-tert-butyl-2-fluoro-4-iodo-1-methylimidazole (CID 146377733) is 5-tert-butyl-2-fluoro-4-iodo-1-methylimidazole.
What is the SMILES notation for 5-tert-butyl-2-fluoro-4-iodo-1-methylimidazole?
The canonical SMILES for 5-tert-butyl-2-fluoro-4-iodo-1-methylimidazole is Cn1c(F)nc(I)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-2-fluoro-4-iodo-1-methylimidazole?
The InChIKey is MIDCGDKLHSNFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FIN2/c1-8(2,3)5-6(10)11-7(9)12(5)4/h1-4H3.
What are the key properties of 5-tert-butyl-2-fluoro-4-iodo-1-methylimidazole?
5-tert-butyl-2-fluoro-4-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 5-tert-butyl-2-fluoro-4-iodo-1-methylimidazole is sourced from PubChem (CID 146377733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).