2-fluoro-2H-imidazole

C3H3FN2 — CID 71422238

IUPAC2-fluoro-2H-imidazole
SMILESFC1N=CC=N1
InChIInChI=1S/C3H3FN2/c4-3-5-1-2-6-3/h1-3H
InChIKeyRZVDBWHSQOXHMC-UHFFFAOYSA-N
MW86.07 g/mol
LogP0.39
Rot. Bonds

About 2-fluoro-2H-imidazole

2-fluoro-2H-imidazole (PubChem CID 71422238) has the molecular formula C3H3FN2 and a molecular weight of 86.07 g/mol. Its IUPAC name is 2-fluoro-2H-imidazole.

Molecular Properties

Compound Name2-fluoro-2H-imidazole
PubChem CID71422238
Molecular FormulaC3H3FN2
Molecular Weight86.07 g/mol
Exact Mass86.03
IUPAC Name2-fluoro-2H-imidazole
SMILESFC1N=CC=N1
InChIInChI=1S/C3H3FN2/c4-3-5-1-2-6-3/h1-3H
InChIKeyRZVDBWHSQOXHMC-UHFFFAOYSA-N
XLogP0.39
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.07
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-fluoro-2H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2H-imidazole?
The IUPAC name of 2-fluoro-2H-imidazole (CID 71422238) is 2-fluoro-2H-imidazole.
What is the SMILES notation for 2-fluoro-2H-imidazole?
The canonical SMILES for 2-fluoro-2H-imidazole is FC1N=CC=N1.
What is the InChIKey of 2-fluoro-2H-imidazole?
The InChIKey is RZVDBWHSQOXHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FN2/c4-3-5-1-2-6-3/h1-3H.
What are the key properties of 2-fluoro-2H-imidazole?
2-fluoro-2H-imidazole has a molecular weight of 86.07 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2H-imidazole is sourced from PubChem (CID 71422238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).