3-(difluoromethyl)-1,2-dihydroimidazole

C4H6F2N2 — CID 175316138

IUPAC3-(difluoromethyl)-1,2-dihydroimidazole
SMILESFC(F)N1C=CNC1
InChIInChI=1S/C4H6F2N2/c5-4(6)8-2-1-7-3-8/h1-2,4,7H,3H2
InChIKeyWEKCRQMWNQYGDF-UHFFFAOYSA-N
MW120.10 g/mol
LogP0.54
Rot. Bonds1

About 3-(difluoromethyl)-1,2-dihydroimidazole

3-(difluoromethyl)-1,2-dihydroimidazole (PubChem CID 175316138) has the molecular formula C4H6F2N2 and a molecular weight of 120.10 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1,2-dihydroimidazole
PubChem CID175316138
Molecular FormulaC4H6F2N2
Molecular Weight120.10 g/mol
Exact Mass120.05
IUPAC Name3-(difluoromethyl)-1,2-dihydroimidazole
SMILESFC(F)N1C=CNC1
InChIInChI=1S/C4H6F2N2/c5-4(6)8-2-1-7-3-8/h1-2,4,7H,3H2
InChIKeyWEKCRQMWNQYGDF-UHFFFAOYSA-N
XLogP0.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,2-dihydroimidazole?
The IUPAC name of 3-(difluoromethyl)-1,2-dihydroimidazole (CID 175316138) is 3-(difluoromethyl)-1,2-dihydroimidazole.
What is the SMILES notation for 3-(difluoromethyl)-1,2-dihydroimidazole?
The canonical SMILES for 3-(difluoromethyl)-1,2-dihydroimidazole is FC(F)N1C=CNC1.
What is the InChIKey of 3-(difluoromethyl)-1,2-dihydroimidazole?
The InChIKey is WEKCRQMWNQYGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N2/c5-4(6)8-2-1-7-3-8/h1-2,4,7H,3H2.
What are the key properties of 3-(difluoromethyl)-1,2-dihydroimidazole?
3-(difluoromethyl)-1,2-dihydroimidazole has a molecular weight of 120.10 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,2-dihydroimidazole is sourced from PubChem (CID 175316138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).