4,5-difluoro-1-propan-2-ylimidazole

C6H8F2N2 — CID 158575768

IUPAC4,5-difluoro-1-propan-2-ylimidazole
SMILESCC(C)n1cnc(F)c1F
InChIInChI=1S/C6H8F2N2/c1-4(2)10-3-9-5(7)6(10)8/h3-4H,1-2H3
InChIKeyKJHDUYMVQWDGQZ-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.74
Rot. Bonds1

About 4,5-difluoro-1-propan-2-ylimidazole

4,5-difluoro-1-propan-2-ylimidazole (PubChem CID 158575768) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is 4,5-difluoro-1-propan-2-ylimidazole.

Molecular Properties

Compound Name4,5-difluoro-1-propan-2-ylimidazole
PubChem CID158575768
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name4,5-difluoro-1-propan-2-ylimidazole
SMILESCC(C)n1cnc(F)c1F
InChIInChI=1S/C6H8F2N2/c1-4(2)10-3-9-5(7)6(10)8/h3-4H,1-2H3
InChIKeyKJHDUYMVQWDGQZ-UHFFFAOYSA-N
XLogP1.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-1-propan-2-ylimidazole?
The IUPAC name of 4,5-difluoro-1-propan-2-ylimidazole (CID 158575768) is 4,5-difluoro-1-propan-2-ylimidazole.
What is the SMILES notation for 4,5-difluoro-1-propan-2-ylimidazole?
The canonical SMILES for 4,5-difluoro-1-propan-2-ylimidazole is CC(C)n1cnc(F)c1F.
What is the InChIKey of 4,5-difluoro-1-propan-2-ylimidazole?
The InChIKey is KJHDUYMVQWDGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2/c1-4(2)10-3-9-5(7)6(10)8/h3-4H,1-2H3.
What are the key properties of 4,5-difluoro-1-propan-2-ylimidazole?
4,5-difluoro-1-propan-2-ylimidazole has a molecular weight of 146.14 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-1-propan-2-ylimidazole is sourced from PubChem (CID 158575768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).