1-fluoro-4,5-dihydroimidazole

C3H5FN2 — CID 18356385

IUPAC1-fluoro-4,5-dihydroimidazole
SMILESFN1C=NCC1
InChIInChI=1S/C3H5FN2/c4-6-2-1-5-3-6/h3H,1-2H2
InChIKeyCLSXGOUAYGGCOR-UHFFFAOYSA-N
MW88.08 g/mol
LogP0.21
Rot. Bonds

About 1-fluoro-4,5-dihydroimidazole

1-fluoro-4,5-dihydroimidazole (PubChem CID 18356385) has the molecular formula C3H5FN2 and a molecular weight of 88.08 g/mol. Its IUPAC name is 1-fluoro-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-fluoro-4,5-dihydroimidazole
PubChem CID18356385
Molecular FormulaC3H5FN2
Molecular Weight88.08 g/mol
Exact Mass88.04
IUPAC Name1-fluoro-4,5-dihydroimidazole
SMILESFN1C=NCC1
InChIInChI=1S/C3H5FN2/c4-6-2-1-5-3-6/h3H,1-2H2
InChIKeyCLSXGOUAYGGCOR-UHFFFAOYSA-N
XLogP0.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.08
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4,5-dihydroimidazole?
The IUPAC name of 1-fluoro-4,5-dihydroimidazole (CID 18356385) is 1-fluoro-4,5-dihydroimidazole.
What is the SMILES notation for 1-fluoro-4,5-dihydroimidazole?
The canonical SMILES for 1-fluoro-4,5-dihydroimidazole is FN1C=NCC1.
What is the InChIKey of 1-fluoro-4,5-dihydroimidazole?
The InChIKey is CLSXGOUAYGGCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FN2/c4-6-2-1-5-3-6/h3H,1-2H2.
What are the key properties of 1-fluoro-4,5-dihydroimidazole?
1-fluoro-4,5-dihydroimidazole has a molecular weight of 88.08 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4,5-dihydroimidazole is sourced from PubChem (CID 18356385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).