2-fluoro-4H-imidazole

C3H3FN2 — CID 98454596

IUPAC2-fluoro-4H-imidazole
SMILESFC1=NCC=N1
InChIInChI=1S/C3H3FN2/c4-3-5-1-2-6-3/h1H,2H2
InChIKeyYTBIVSPVGFBNAU-UHFFFAOYSA-N
MW86.07 g/mol
LogP0.40
Rot. Bonds

About 2-fluoro-4H-imidazole

2-fluoro-4H-imidazole (PubChem CID 98454596) has the molecular formula C3H3FN2 and a molecular weight of 86.07 g/mol. Its IUPAC name is 2-fluoro-4H-imidazole.

Molecular Properties

Compound Name2-fluoro-4H-imidazole
PubChem CID98454596
Molecular FormulaC3H3FN2
Molecular Weight86.07 g/mol
Exact Mass86.03
IUPAC Name2-fluoro-4H-imidazole
SMILESFC1=NCC=N1
InChIInChI=1S/C3H3FN2/c4-3-5-1-2-6-3/h1H,2H2
InChIKeyYTBIVSPVGFBNAU-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4H-Imidazole
CID 12744656
2-Fluoro-2H-imidazole
CID 71422238
2-(trifluoromethyl)-4H-imidazole
CID 98451984
N-(trifluoromethyl)imidazol-2-imine
CID 177726253
Imidazol-1-ium
CID 20778763
2-deuterio-4H-imidazole
CID 148341173
2,5-dideuterio-4H-imidazole
CID 157099519
Imidazole-1,3-diium
CID 173079013
hydron;4H-imidazole
CID 174465802
4,4-Dideuterioimidazole
CID 175885772

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4H-imidazole?
The IUPAC name of 2-fluoro-4H-imidazole (CID 98454596) is 2-fluoro-4H-imidazole.
What is the SMILES notation for 2-fluoro-4H-imidazole?
The canonical SMILES for 2-fluoro-4H-imidazole is FC1=NCC=N1.
What is the InChIKey of 2-fluoro-4H-imidazole?
The InChIKey is YTBIVSPVGFBNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FN2/c4-3-5-1-2-6-3/h1H,2H2.
What are the key properties of 2-fluoro-4H-imidazole?
2-fluoro-4H-imidazole has a molecular weight of 86.07 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4H-imidazole is sourced from PubChem (CID 98454596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).