4-[(E)-2-bromo-2-fluoroethenyl]-1-propan-2-ylimidazole

C8H10BrFN2 — CID 169168219

IUPAC4-[(E)-2-bromo-2-fluoroethenyl]-1-propan-2-ylimidazole
SMILESCC(C)n1cnc(/C=C(\F)Br)c1
InChIInChI=1S/C8H10BrFN2/c1-6(2)12-4-7(11-5-12)3-8(9)10/h3-6H,1-2H3/b8-3-
InChIKeyBERPBSUVXWRKRI-BAQGIRSFSA-N
MW233.08 g/mol
LogP3.13
Rot. Bonds2

About 4-[(E)-2-bromo-2-fluoroethenyl]-1-propan-2-ylimidazole

4-[(E)-2-bromo-2-fluoroethenyl]-1-propan-2-ylimidazole (PubChem CID 169168219) has the molecular formula C8H10BrFN2 and a molecular weight of 233.08 g/mol. Its IUPAC name is 4-[(E)-2-bromo-2-fluoroethenyl]-1-propan-2-ylimidazole.

Molecular Properties

Compound Name4-[(E)-2-bromo-2-fluoroethenyl]-1-propan-2-ylimidazole
PubChem CID169168219
Molecular FormulaC8H10BrFN2
Molecular Weight233.08 g/mol
Exact Mass232.00
IUPAC Name4-[(E)-2-bromo-2-fluoroethenyl]-1-propan-2-ylimidazole
SMILESCC(C)n1cnc(/C=C(\F)Br)c1
InChIInChI=1S/C8H10BrFN2/c1-6(2)12-4-7(11-5-12)3-8(9)10/h3-6H,1-2H3/b8-3-
InChIKeyBERPBSUVXWRKRI-BAQGIRSFSA-N
XLogP3.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-bromo-2-fluoroethenyl]-1-propan-2-ylimidazole?
The IUPAC name of 4-[(E)-2-bromo-2-fluoroethenyl]-1-propan-2-ylimidazole (CID 169168219) is 4-[(E)-2-bromo-2-fluoroethenyl]-1-propan-2-ylimidazole.
What is the SMILES notation for 4-[(E)-2-bromo-2-fluoroethenyl]-1-propan-2-ylimidazole?
The canonical SMILES for 4-[(E)-2-bromo-2-fluoroethenyl]-1-propan-2-ylimidazole is CC(C)n1cnc(/C=C(\F)Br)c1.
What is the InChIKey of 4-[(E)-2-bromo-2-fluoroethenyl]-1-propan-2-ylimidazole?
The InChIKey is BERPBSUVXWRKRI-BAQGIRSFSA-N. The full InChI is InChI=1S/C8H10BrFN2/c1-6(2)12-4-7(11-5-12)3-8(9)10/h3-6H,1-2H3/b8-3-.
What are the key properties of 4-[(E)-2-bromo-2-fluoroethenyl]-1-propan-2-ylimidazole?
4-[(E)-2-bromo-2-fluoroethenyl]-1-propan-2-ylimidazole has a molecular weight of 233.08 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-bromo-2-fluoroethenyl]-1-propan-2-ylimidazole is sourced from PubChem (CID 169168219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).