1,1-difluoro-4,5-dihydroimidazol-1-ium

C3H5F2N2+ — CID 90273063

IUPAC1,1-difluoro-4,5-dihydroimidazol-1-ium
SMILESF[N+]1(F)C=NCC1
InChIInChI=1S/C3H5F2N2/c4-7(5)2-1-6-3-7/h3H,1-2H2/q+1
InChIKeyLMTGCZGPFPZZND-UHFFFAOYSA-N
MW107.08 g/mol
LogP0.61
Rot. Bonds

About 1,1-difluoro-4,5-dihydroimidazol-1-ium

1,1-difluoro-4,5-dihydroimidazol-1-ium (PubChem CID 90273063) has the molecular formula C3H5F2N2+ and a molecular weight of 107.08 g/mol. Its IUPAC name is 1,1-difluoro-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1,1-difluoro-4,5-dihydroimidazol-1-ium
PubChem CID90273063
Molecular FormulaC3H5F2N2+
Molecular Weight107.08 g/mol
Exact Mass107.04
IUPAC Name1,1-difluoro-4,5-dihydroimidazol-1-ium
SMILESF[N+]1(F)C=NCC1
InChIInChI=1S/C3H5F2N2/c4-7(5)2-1-6-3-7/h3H,1-2H2/q+1
InChIKeyLMTGCZGPFPZZND-UHFFFAOYSA-N
XLogP0.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.08
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Fluoro imidazoline
CID 18356385
Iodo-imidazoline
CID 57092540
1,2-Difluoro-4,5-dihydroimidazole
CID 90273057
4,5-Difluoro-4,5-dihydroimidazol-3-ide
CID 21982032
4,5-Dihydroimidazol-3-ide
CID 17958029
CID 53627683
CID 53627683
Copper(1+);4,5-dihydroimidazol-3-ide
CID 69533995
Lithium 4,5-dihydroimidazol-3-ide
CID 140596691
CID 149626030
CID 149626030
Cobalt;4,5-dihydroimidazol-3-ide
CID 171479405
4,5-Dihydroimidazol-3-ide;gold(1+)
CID 174376415
4,5-Dihydroimidazol-3-ide;europium
CID 175735076

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4,5-dihydroimidazol-1-ium?
The IUPAC name of 1,1-difluoro-4,5-dihydroimidazol-1-ium (CID 90273063) is 1,1-difluoro-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 1,1-difluoro-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 1,1-difluoro-4,5-dihydroimidazol-1-ium is F[N+]1(F)C=NCC1.
What is the InChIKey of 1,1-difluoro-4,5-dihydroimidazol-1-ium?
The InChIKey is LMTGCZGPFPZZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2N2/c4-7(5)2-1-6-3-7/h3H,1-2H2/q+1.
What are the key properties of 1,1-difluoro-4,5-dihydroimidazol-1-ium?
1,1-difluoro-4,5-dihydroimidazol-1-ium has a molecular weight of 107.08 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 90273063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).