2,2-difluoro-1,3-dihydroimidazole

C3H4F2N2 — CID 164596205

IUPAC2,2-difluoro-1,3-dihydroimidazole
SMILESFC1(F)NC=CN1
InChIInChI=1S/C3H4F2N2/c4-3(5)6-1-2-7-3/h1-2,6-7H
InChIKeyQNEVTMZZUDEPGT-UHFFFAOYSA-N
MW106.07 g/mol
LogP0.20
Rot. Bonds

About 2,2-difluoro-1,3-dihydroimidazole

2,2-difluoro-1,3-dihydroimidazole (PubChem CID 164596205) has the molecular formula C3H4F2N2 and a molecular weight of 106.07 g/mol. Its IUPAC name is 2,2-difluoro-1,3-dihydroimidazole.

Molecular Properties

Compound Name2,2-difluoro-1,3-dihydroimidazole
PubChem CID164596205
Molecular FormulaC3H4F2N2
Molecular Weight106.07 g/mol
Exact Mass106.03
IUPAC Name2,2-difluoro-1,3-dihydroimidazole
SMILESFC1(F)NC=CN1
InChIInChI=1S/C3H4F2N2/c4-3(5)6-1-2-7-3/h1-2,6-7H
InChIKeyQNEVTMZZUDEPGT-UHFFFAOYSA-N
XLogP0.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.07
LogP ≤ 50.20
H-Bond Donors ≤ 52
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 2,2-difluoro-1,3-dihydroimidazole?
The IUPAC name of 2,2-difluoro-1,3-dihydroimidazole (CID 164596205) is 2,2-difluoro-1,3-dihydroimidazole.
What is the SMILES notation for 2,2-difluoro-1,3-dihydroimidazole?
The canonical SMILES for 2,2-difluoro-1,3-dihydroimidazole is FC1(F)NC=CN1.
What is the InChIKey of 2,2-difluoro-1,3-dihydroimidazole?
The InChIKey is QNEVTMZZUDEPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2N2/c4-3(5)6-1-2-7-3/h1-2,6-7H.
What are the key properties of 2,2-difluoro-1,3-dihydroimidazole?
2,2-difluoro-1,3-dihydroimidazole has a molecular weight of 106.07 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,3-dihydroimidazole is sourced from PubChem (CID 164596205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).