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

C5H7F3N2 — CID 173378772

IUPAC1-(difluoromethyl)-4-(fluoromethyl)-4,5-dihydroimidazole
SMILESFCC1CN(C(F)F)C=N1
InChIInChI=1S/C5H7F3N2/c6-1-4-2-10(3-9-4)5(7)8/h3-5H,1-2H2
InChIKeyIHVNNBPYHXFZSE-UHFFFAOYSA-N
MW152.12 g/mol
LogP0.89
Rot. Bonds2

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

1-(difluoromethyl)-4-(fluoromethyl)-4,5-dihydroimidazole (PubChem CID 173378772) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-(fluoromethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-(fluoromethyl)-4,5-dihydroimidazole
PubChem CID173378772
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name1-(difluoromethyl)-4-(fluoromethyl)-4,5-dihydroimidazole
SMILESFCC1CN(C(F)F)C=N1
InChIInChI=1S/C5H7F3N2/c6-1-4-2-10(3-9-4)5(7)8/h3-5H,1-2H2
InChIKeyIHVNNBPYHXFZSE-UHFFFAOYSA-N
XLogP0.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 50.89
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-(fluoromethyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(difluoromethyl)-4-(fluoromethyl)-4,5-dihydroimidazole (CID 173378772) is 1-(difluoromethyl)-4-(fluoromethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(difluoromethyl)-4-(fluoromethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(difluoromethyl)-4-(fluoromethyl)-4,5-dihydroimidazole is FCC1CN(C(F)F)C=N1.
What is the InChIKey of 1-(difluoromethyl)-4-(fluoromethyl)-4,5-dihydroimidazole?
The InChIKey is IHVNNBPYHXFZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2/c6-1-4-2-10(3-9-4)5(7)8/h3-5H,1-2H2.
What are the key properties of 1-(difluoromethyl)-4-(fluoromethyl)-4,5-dihydroimidazole?
1-(difluoromethyl)-4-(fluoromethyl)-4,5-dihydroimidazole has a molecular weight of 152.12 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-(fluoromethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 173378772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).