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

C6H10F2N2 — CID 173378807

IUPAC1-(difluoromethyl)-4-ethyl-4,5-dihydroimidazole
SMILESCCC1CN(C(F)F)C=N1
InChIInChI=1S/C6H10F2N2/c1-2-5-3-10(4-9-5)6(7)8/h4-6H,2-3H2,1H3
InChIKeyPOMMWNUKBOYQBX-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.33
Rot. Bonds2

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

1-(difluoromethyl)-4-ethyl-4,5-dihydroimidazole (PubChem CID 173378807) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-ethyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-ethyl-4,5-dihydroimidazole
PubChem CID173378807
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name1-(difluoromethyl)-4-ethyl-4,5-dihydroimidazole
SMILESCCC1CN(C(F)F)C=N1
InChIInChI=1S/C6H10F2N2/c1-2-5-3-10(4-9-5)6(7)8/h4-6H,2-3H2,1H3
InChIKeyPOMMWNUKBOYQBX-UHFFFAOYSA-N
XLogP1.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.33
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-ethyl-4,5-dihydroimidazole?
The IUPAC name of 1-(difluoromethyl)-4-ethyl-4,5-dihydroimidazole (CID 173378807) is 1-(difluoromethyl)-4-ethyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(difluoromethyl)-4-ethyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(difluoromethyl)-4-ethyl-4,5-dihydroimidazole is CCC1CN(C(F)F)C=N1.
What is the InChIKey of 1-(difluoromethyl)-4-ethyl-4,5-dihydroimidazole?
The InChIKey is POMMWNUKBOYQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2/c1-2-5-3-10(4-9-5)6(7)8/h4-6H,2-3H2,1H3.
What are the key properties of 1-(difluoromethyl)-4-ethyl-4,5-dihydroimidazole?
1-(difluoromethyl)-4-ethyl-4,5-dihydroimidazole has a molecular weight of 148.16 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-ethyl-4,5-dihydroimidazole is sourced from PubChem (CID 173378807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).