1-(difluoromethyl)-4,5-dihydroimidazole

C4H6F2N2 — CID 141167077

IUPAC1-(difluoromethyl)-4,5-dihydroimidazole
SMILESFC(F)N1C=NCC1
InChIInChI=1S/C4H6F2N2/c5-4(6)8-2-1-7-3-8/h3-4H,1-2H2
InChIKeyHIEBCUXTILBMAB-UHFFFAOYSA-N
MW120.10 g/mol
LogP0.55
Rot. Bonds1

About 1-(difluoromethyl)-4,5-dihydroimidazole

1-(difluoromethyl)-4,5-dihydroimidazole (PubChem CID 141167077) has the molecular formula C4H6F2N2 and a molecular weight of 120.10 g/mol. Its IUPAC name is 1-(difluoromethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4,5-dihydroimidazole
PubChem CID141167077
Molecular FormulaC4H6F2N2
Molecular Weight120.10 g/mol
Exact Mass120.05
IUPAC Name1-(difluoromethyl)-4,5-dihydroimidazole
SMILESFC(F)N1C=NCC1
InChIInChI=1S/C4H6F2N2/c5-4(6)8-2-1-7-3-8/h3-4H,1-2H2
InChIKeyHIEBCUXTILBMAB-UHFFFAOYSA-N
XLogP0.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 50.55
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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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(difluoromethyl)-4,5-dihydroimidazole (CID 141167077) is 1-(difluoromethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(difluoromethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(difluoromethyl)-4,5-dihydroimidazole is FC(F)N1C=NCC1.
What is the InChIKey of 1-(difluoromethyl)-4,5-dihydroimidazole?
The InChIKey is HIEBCUXTILBMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N2/c5-4(6)8-2-1-7-3-8/h3-4H,1-2H2.
What are the key properties of 1-(difluoromethyl)-4,5-dihydroimidazole?
1-(difluoromethyl)-4,5-dihydroimidazole has a molecular weight of 120.10 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 141167077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).