2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole

C6H3F7N2 — CID 138396387

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole
SMILESFC(F)(F)C(F)(c1ncc[nH]1)C(F)(F)F
InChIInChI=1S/C6H3F7N2/c7-4(5(8,9)10,6(11,12)13)3-14-1-2-15-3/h1-2H,(H,14,15)
InChIKeyJEEJFXFTYPLCSR-UHFFFAOYSA-N
MW236.09 g/mol
LogP2.70
Rot. Bonds1

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole (PubChem CID 138396387) has the molecular formula C6H3F7N2 and a molecular weight of 236.09 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole
PubChem CID138396387
Molecular FormulaC6H3F7N2
Molecular Weight236.09 g/mol
Exact Mass236.02
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole
SMILESFC(F)(F)C(F)(c1ncc[nH]1)C(F)(F)F
InChIInChI=1S/C6H3F7N2/c7-4(5(8,9)10,6(11,12)13)3-14-1-2-15-3/h1-2H,(H,14,15)
InChIKeyJEEJFXFTYPLCSR-UHFFFAOYSA-N
XLogP2.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.09
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole (CID 138396387) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole is FC(F)(F)C(F)(c1ncc[nH]1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole?
The InChIKey is JEEJFXFTYPLCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F7N2/c7-4(5(8,9)10,6(11,12)13)3-14-1-2-15-3/h1-2H,(H,14,15).
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole has a molecular weight of 236.09 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole is sourced from PubChem (CID 138396387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).