2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-imidazole

C6H3F7N2 — CID 576201

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-imidazole
SMILESFC(F)(F)C(F)(F)C(F)(F)c1ncc[nH]1
InChIInChI=1S/C6H3F7N2/c7-4(8,3-14-1-2-15-3)5(9,10)6(11,12)13/h1-2H,(H,14,15)
InChIKeyALGTVIZUVXBBPO-UHFFFAOYSA-N
MW236.09 g/mol
LogP2.70
Rot. Bonds2

About 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-imidazole

2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-imidazole (PubChem CID 576201) has the molecular formula C6H3F7N2 and a molecular weight of 236.09 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-imidazole.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-imidazole
PubChem CID576201
Molecular FormulaC6H3F7N2
Molecular Weight236.09 g/mol
Exact Mass236.02
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-imidazole
SMILESFC(F)(F)C(F)(F)C(F)(F)c1ncc[nH]1
InChIInChI=1S/C6H3F7N2/c7-4(8,3-14-1-2-15-3)5(9,10)6(11,12)13/h1-2H,(H,14,15)
InChIKeyALGTVIZUVXBBPO-UHFFFAOYSA-N
XLogP2.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-imidazole?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-imidazole (CID 576201) is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-imidazole.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-imidazole?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-imidazole is FC(F)(F)C(F)(F)C(F)(F)c1ncc[nH]1.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-imidazole?
The InChIKey is ALGTVIZUVXBBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F7N2/c7-4(8,3-14-1-2-15-3)5(9,10)6(11,12)13/h1-2H,(H,14,15).
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-imidazole?
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-imidazole has a molecular weight of 236.09 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-imidazole is sourced from PubChem (CID 576201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).