4-ethenyl-2-fluoro-5-[(E)-2-fluoroprop-1-enyl]-1H-imidazole

C8H8F2N2 — CID 144710588

IUPAC4-ethenyl-2-fluoro-5-[(E)-2-fluoroprop-1-enyl]-1H-imidazole
SMILESC=Cc1nc(F)[nH]c1/C=C(\C)F
InChIInChI=1S/C8H8F2N2/c1-3-6-7(4-5(2)9)12-8(10)11-6/h3-4H,1H2,2H3,(H,11,12)/b5-4+
InChIKeyJJAWZDRNWPUPLS-SNAWJCMRSA-N
MW170.16 g/mol
LogP2.52
Rot. Bonds2

About 4-ethenyl-2-fluoro-5-[(E)-2-fluoroprop-1-enyl]-1H-imidazole

4-ethenyl-2-fluoro-5-[(E)-2-fluoroprop-1-enyl]-1H-imidazole (PubChem CID 144710588) has the molecular formula C8H8F2N2 and a molecular weight of 170.16 g/mol. Its IUPAC name is 4-ethenyl-2-fluoro-5-[(E)-2-fluoroprop-1-enyl]-1H-imidazole.

Molecular Properties

Compound Name4-ethenyl-2-fluoro-5-[(E)-2-fluoroprop-1-enyl]-1H-imidazole
PubChem CID144710588
Molecular FormulaC8H8F2N2
Molecular Weight170.16 g/mol
Exact Mass170.07
IUPAC Name4-ethenyl-2-fluoro-5-[(E)-2-fluoroprop-1-enyl]-1H-imidazole
SMILESC=Cc1nc(F)[nH]c1/C=C(\C)F
InChIInChI=1S/C8H8F2N2/c1-3-6-7(4-5(2)9)12-8(10)11-6/h3-4H,1H2,2H3,(H,11,12)/b5-4+
InChIKeyJJAWZDRNWPUPLS-SNAWJCMRSA-N
XLogP2.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-fluoro-5-[(E)-2-fluoroprop-1-enyl]-1H-imidazole?
The IUPAC name of 4-ethenyl-2-fluoro-5-[(E)-2-fluoroprop-1-enyl]-1H-imidazole (CID 144710588) is 4-ethenyl-2-fluoro-5-[(E)-2-fluoroprop-1-enyl]-1H-imidazole.
What is the SMILES notation for 4-ethenyl-2-fluoro-5-[(E)-2-fluoroprop-1-enyl]-1H-imidazole?
The canonical SMILES for 4-ethenyl-2-fluoro-5-[(E)-2-fluoroprop-1-enyl]-1H-imidazole is C=Cc1nc(F)[nH]c1/C=C(\C)F.
What is the InChIKey of 4-ethenyl-2-fluoro-5-[(E)-2-fluoroprop-1-enyl]-1H-imidazole?
The InChIKey is JJAWZDRNWPUPLS-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H8F2N2/c1-3-6-7(4-5(2)9)12-8(10)11-6/h3-4H,1H2,2H3,(H,11,12)/b5-4+.
What are the key properties of 4-ethenyl-2-fluoro-5-[(E)-2-fluoroprop-1-enyl]-1H-imidazole?
4-ethenyl-2-fluoro-5-[(E)-2-fluoroprop-1-enyl]-1H-imidazole has a molecular weight of 170.16 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-fluoro-5-[(E)-2-fluoroprop-1-enyl]-1H-imidazole is sourced from PubChem (CID 144710588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).