1,2-difluoro-4,5-dihydroimidazole

C3H4F2N2 — CID 90273057

IUPAC1,2-difluoro-4,5-dihydroimidazole
SMILESFC1=NCCN1F
InChIInChI=1S/C3H4F2N2/c4-3-6-1-2-7(3)5/h1-2H2
InChIKeyWLEOZRQTSGPMGA-UHFFFAOYSA-N
MW106.08 g/mol
LogP0.51
Rot. Bonds

About 1,2-difluoro-4,5-dihydroimidazole

1,2-difluoro-4,5-dihydroimidazole (PubChem CID 90273057) has the molecular formula C3H4F2N2 and a molecular weight of 106.08 g/mol. Its IUPAC name is 1,2-difluoro-4,5-dihydroimidazole.

Molecular Properties

Compound Name1,2-difluoro-4,5-dihydroimidazole
PubChem CID90273057
Molecular FormulaC3H4F2N2
Molecular Weight106.08 g/mol
Exact Mass106.03
IUPAC Name1,2-difluoro-4,5-dihydroimidazole
SMILESFC1=NCCN1F
InChIInChI=1S/C3H4F2N2/c4-3-6-1-2-7(3)5/h1-2H2
InChIKeyWLEOZRQTSGPMGA-UHFFFAOYSA-N
XLogP0.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.08
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4,5-dihydroimidazole?
The IUPAC name of 1,2-difluoro-4,5-dihydroimidazole (CID 90273057) is 1,2-difluoro-4,5-dihydroimidazole.
What is the SMILES notation for 1,2-difluoro-4,5-dihydroimidazole?
The canonical SMILES for 1,2-difluoro-4,5-dihydroimidazole is FC1=NCCN1F.
What is the InChIKey of 1,2-difluoro-4,5-dihydroimidazole?
The InChIKey is WLEOZRQTSGPMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2N2/c4-3-6-1-2-7(3)5/h1-2H2.
What are the key properties of 1,2-difluoro-4,5-dihydroimidazole?
1,2-difluoro-4,5-dihydroimidazole has a molecular weight of 106.08 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4,5-dihydroimidazole is sourced from PubChem (CID 90273057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).