2-(difluoromethyl)-4,5-dihydro-1H-imidazole

C4H6F2N2 — CID 55288394

IUPAC2-(difluoromethyl)-4,5-dihydro-1H-imidazole
SMILESFC(F)C1=NCCN1
InChIInChI=1S/C4H6F2N2/c5-3(6)4-7-1-2-8-4/h3H,1-2H2,(H,7,8)
InChIKeyGFFIEWICDZPBLS-UHFFFAOYSA-N
MW120.10 g/mol
LogP0.25
Rot. Bonds1

About 2-(difluoromethyl)-4,5-dihydro-1H-imidazole

2-(difluoromethyl)-4,5-dihydro-1H-imidazole (PubChem CID 55288394) has the molecular formula C4H6F2N2 and a molecular weight of 120.10 g/mol. Its IUPAC name is 2-(difluoromethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(difluoromethyl)-4,5-dihydro-1H-imidazole
PubChem CID55288394
Molecular FormulaC4H6F2N2
Molecular Weight120.10 g/mol
Exact Mass120.05
IUPAC Name2-(difluoromethyl)-4,5-dihydro-1H-imidazole
SMILESFC(F)C1=NCCN1
InChIInChI=1S/C4H6F2N2/c5-3(6)4-7-1-2-8-4/h3H,1-2H2,(H,7,8)
InChIKeyGFFIEWICDZPBLS-UHFFFAOYSA-N
XLogP0.25
TPSA24.39 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 ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(difluoromethyl)-4,5-dihydro-1H-imidazole (CID 55288394) is 2-(difluoromethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(difluoromethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(difluoromethyl)-4,5-dihydro-1H-imidazole is FC(F)C1=NCCN1.
What is the InChIKey of 2-(difluoromethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is GFFIEWICDZPBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N2/c5-3(6)4-7-1-2-8-4/h3H,1-2H2,(H,7,8).
What are the key properties of 2-(difluoromethyl)-4,5-dihydro-1H-imidazole?
2-(difluoromethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 120.10 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 55288394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).