5-fluoro-2-prop-2-enyl-1H-imidazole

C6H7FN2 — CID 70127226

IUPAC5-fluoro-2-prop-2-enyl-1H-imidazole
SMILESC=CCc1ncc(F)[nH]1
InChIInChI=1S/C6H7FN2/c1-2-3-6-8-4-5(7)9-6/h2,4H,1,3H2,(H,8,9)
InChIKeyJCOQKGKLDICOSB-UHFFFAOYSA-N
MW126.13 g/mol
LogP1.28
Rot. Bonds2

About 5-fluoro-2-prop-2-enyl-1H-imidazole

5-fluoro-2-prop-2-enyl-1H-imidazole (PubChem CID 70127226) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is 5-fluoro-2-prop-2-enyl-1H-imidazole.

Molecular Properties

Compound Name5-fluoro-2-prop-2-enyl-1H-imidazole
PubChem CID70127226
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name5-fluoro-2-prop-2-enyl-1H-imidazole
SMILESC=CCc1ncc(F)[nH]1
InChIInChI=1S/C6H7FN2/c1-2-3-6-8-4-5(7)9-6/h2,4H,1,3H2,(H,8,9)
InChIKeyJCOQKGKLDICOSB-UHFFFAOYSA-N
XLogP1.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.28
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 5-fluoro-2-prop-2-enyl-1H-imidazole?
The IUPAC name of 5-fluoro-2-prop-2-enyl-1H-imidazole (CID 70127226) is 5-fluoro-2-prop-2-enyl-1H-imidazole.
What is the SMILES notation for 5-fluoro-2-prop-2-enyl-1H-imidazole?
The canonical SMILES for 5-fluoro-2-prop-2-enyl-1H-imidazole is C=CCc1ncc(F)[nH]1.
What is the InChIKey of 5-fluoro-2-prop-2-enyl-1H-imidazole?
The InChIKey is JCOQKGKLDICOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2/c1-2-3-6-8-4-5(7)9-6/h2,4H,1,3H2,(H,8,9).
What are the key properties of 5-fluoro-2-prop-2-enyl-1H-imidazole?
5-fluoro-2-prop-2-enyl-1H-imidazole has a molecular weight of 126.13 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-prop-2-enyl-1H-imidazole is sourced from PubChem (CID 70127226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).