2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole

C8H11FN2 — CID 135158915

IUPAC2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole
SMILESC/C=C(/F)c1nc(C)cn1C
InChIInChI=1S/C8H11FN2/c1-4-7(9)8-10-6(2)5-11(8)3/h4-5H,1-3H3/b7-4+
InChIKeyYALFDFVNBQGUMR-QPJJXVBHSA-N
MW154.19 g/mol
LogP2.06
Rot. Bonds1

About 2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole

2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole (PubChem CID 135158915) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole.

Molecular Properties

Compound Name2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole
PubChem CID135158915
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole
SMILESC/C=C(/F)c1nc(C)cn1C
InChIInChI=1S/C8H11FN2/c1-4-7(9)8-10-6(2)5-11(8)3/h4-5H,1-3H3/b7-4+
InChIKeyYALFDFVNBQGUMR-QPJJXVBHSA-N
XLogP2.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole?
The IUPAC name of 2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole (CID 135158915) is 2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole.
What is the SMILES notation for 2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole?
The canonical SMILES for 2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole is C/C=C(/F)c1nc(C)cn1C.
What is the InChIKey of 2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole?
The InChIKey is YALFDFVNBQGUMR-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H11FN2/c1-4-7(9)8-10-6(2)5-11(8)3/h4-5H,1-3H3/b7-4+.
What are the key properties of 2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole?
2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole has a molecular weight of 154.19 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole is sourced from PubChem (CID 135158915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).