1-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-imidazole

C10H11F9N2 — CID 59008519

IUPAC1-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-imidazole
SMILESCN1C=CN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C10H11F9N2/c1-20-4-5-21(6-20)3-2-7(11,12)8(13,14)9(15,16)10(17,18)19/h4-5H,2-3,6H2,1H3
InChIKeyVNPQJEAXWTWTBP-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.52
Rot. Bonds5

About 1-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-imidazole

1-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-imidazole (PubChem CID 59008519) has the molecular formula C10H11F9N2 and a molecular weight of 330.19 g/mol. Its IUPAC name is 1-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-imidazole
PubChem CID59008519
Molecular FormulaC10H11F9N2
Molecular Weight330.19 g/mol
Exact Mass330.08
IUPAC Name1-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-imidazole
SMILESCN1C=CN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C10H11F9N2/c1-20-4-5-21(6-20)3-2-7(11,12)8(13,14)9(15,16)10(17,18)19/h4-5H,2-3,6H2,1H3
InChIKeyVNPQJEAXWTWTBP-UHFFFAOYSA-N
XLogP3.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-imidazole?
The IUPAC name of 1-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-imidazole (CID 59008519) is 1-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-imidazole.
What is the SMILES notation for 1-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-imidazole?
The canonical SMILES for 1-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-imidazole is CN1C=CN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-imidazole?
The InChIKey is VNPQJEAXWTWTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F9N2/c1-20-4-5-21(6-20)3-2-7(11,12)8(13,14)9(15,16)10(17,18)19/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-imidazole?
1-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-imidazole has a molecular weight of 330.19 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-imidazole is sourced from PubChem (CID 59008519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).