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

C5H9FN2 — CID 173378930

IUPAC1-(fluoromethyl)-4-methyl-4,5-dihydroimidazole
SMILESCC1CN(CF)C=N1
InChIInChI=1S/C5H9FN2/c1-5-2-8(3-6)4-7-5/h4-5H,2-3H2,1H3
InChIKeyUQCFMLJSEDMUCD-UHFFFAOYSA-N
MW116.14 g/mol
LogP0.65
Rot. Bonds1

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

1-(fluoromethyl)-4-methyl-4,5-dihydroimidazole (PubChem CID 173378930) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is 1-(fluoromethyl)-4-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(fluoromethyl)-4-methyl-4,5-dihydroimidazole
PubChem CID173378930
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name1-(fluoromethyl)-4-methyl-4,5-dihydroimidazole
SMILESCC1CN(CF)C=N1
InChIInChI=1S/C5H9FN2/c1-5-2-8(3-6)4-7-5/h4-5H,2-3H2,1H3
InChIKeyUQCFMLJSEDMUCD-UHFFFAOYSA-N
XLogP0.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.65
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-(fluoromethyl)-4-methyl-4,5-dihydroimidazole?
The IUPAC name of 1-(fluoromethyl)-4-methyl-4,5-dihydroimidazole (CID 173378930) is 1-(fluoromethyl)-4-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(fluoromethyl)-4-methyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(fluoromethyl)-4-methyl-4,5-dihydroimidazole is CC1CN(CF)C=N1.
What is the InChIKey of 1-(fluoromethyl)-4-methyl-4,5-dihydroimidazole?
The InChIKey is UQCFMLJSEDMUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2/c1-5-2-8(3-6)4-7-5/h4-5H,2-3H2,1H3.
What are the key properties of 1-(fluoromethyl)-4-methyl-4,5-dihydroimidazole?
1-(fluoromethyl)-4-methyl-4,5-dihydroimidazole has a molecular weight of 116.14 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 173378930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).