2-but-3-enyl-5-fluoro-1H-imidazole

C7H9FN2 — CID 69002450

IUPAC2-but-3-enyl-5-fluoro-1H-imidazole
SMILESC=CCCc1ncc(F)[nH]1
InChIInChI=1S/C7H9FN2/c1-2-3-4-7-9-5-6(8)10-7/h2,5H,1,3-4H2,(H,9,10)
InChIKeyQRBZRSZVRULJGK-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.67
Rot. Bonds3

About 2-but-3-enyl-5-fluoro-1H-imidazole

2-but-3-enyl-5-fluoro-1H-imidazole (PubChem CID 69002450) has the molecular formula C7H9FN2 and a molecular weight of 140.16 g/mol. Its IUPAC name is 2-but-3-enyl-5-fluoro-1H-imidazole.

Molecular Properties

Compound Name2-but-3-enyl-5-fluoro-1H-imidazole
PubChem CID69002450
Molecular FormulaC7H9FN2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name2-but-3-enyl-5-fluoro-1H-imidazole
SMILESC=CCCc1ncc(F)[nH]1
InChIInChI=1S/C7H9FN2/c1-2-3-4-7-9-5-6(8)10-7/h2,5H,1,3-4H2,(H,9,10)
InChIKeyQRBZRSZVRULJGK-UHFFFAOYSA-N
XLogP1.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-5-fluoro-1H-imidazole?
The IUPAC name of 2-but-3-enyl-5-fluoro-1H-imidazole (CID 69002450) is 2-but-3-enyl-5-fluoro-1H-imidazole.
What is the SMILES notation for 2-but-3-enyl-5-fluoro-1H-imidazole?
The canonical SMILES for 2-but-3-enyl-5-fluoro-1H-imidazole is C=CCCc1ncc(F)[nH]1.
What is the InChIKey of 2-but-3-enyl-5-fluoro-1H-imidazole?
The InChIKey is QRBZRSZVRULJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2/c1-2-3-4-7-9-5-6(8)10-7/h2,5H,1,3-4H2,(H,9,10).
What are the key properties of 2-but-3-enyl-5-fluoro-1H-imidazole?
2-but-3-enyl-5-fluoro-1H-imidazole has a molecular weight of 140.16 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-5-fluoro-1H-imidazole is sourced from PubChem (CID 69002450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).