1-(difluoromethyl)-2-methyl-4-propan-2-ylimidazole

C8H12F2N2 — CID 166088434

IUPAC1-(difluoromethyl)-2-methyl-4-propan-2-ylimidazole
SMILESCc1nc(C(C)C)cn1C(F)F
InChIInChI=1S/C8H12F2N2/c1-5(2)7-4-12(8(9)10)6(3)11-7/h4-5,8H,1-3H3
InChIKeyLBFZGPATKPJEJE-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.71
Rot. Bonds2

About 1-(difluoromethyl)-2-methyl-4-propan-2-ylimidazole

1-(difluoromethyl)-2-methyl-4-propan-2-ylimidazole (PubChem CID 166088434) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-methyl-4-propan-2-ylimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-methyl-4-propan-2-ylimidazole
PubChem CID166088434
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name1-(difluoromethyl)-2-methyl-4-propan-2-ylimidazole
SMILESCc1nc(C(C)C)cn1C(F)F
InChIInChI=1S/C8H12F2N2/c1-5(2)7-4-12(8(9)10)6(3)11-7/h4-5,8H,1-3H3
InChIKeyLBFZGPATKPJEJE-UHFFFAOYSA-N
XLogP2.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-methyl-4-propan-2-ylimidazole?
The IUPAC name of 1-(difluoromethyl)-2-methyl-4-propan-2-ylimidazole (CID 166088434) is 1-(difluoromethyl)-2-methyl-4-propan-2-ylimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-methyl-4-propan-2-ylimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-methyl-4-propan-2-ylimidazole is Cc1nc(C(C)C)cn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-2-methyl-4-propan-2-ylimidazole?
The InChIKey is LBFZGPATKPJEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-5(2)7-4-12(8(9)10)6(3)11-7/h4-5,8H,1-3H3.
What are the key properties of 1-(difluoromethyl)-2-methyl-4-propan-2-ylimidazole?
1-(difluoromethyl)-2-methyl-4-propan-2-ylimidazole has a molecular weight of 174.19 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-methyl-4-propan-2-ylimidazole is sourced from PubChem (CID 166088434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).