azane;ethane;2,4,4,5,5-pentafluoro-1-hexylimidazole

C11H22F5N3 — CID 174765739

IUPACazane;ethane;2,4,4,5,5-pentafluoro-1-hexylimidazole
SMILESCC.CCCCCCN1C(F)=NC(F)(F)C1(F)F.N
InChIInChI=1S/C9H13F5N2.C2H6.H3N/c1-2-3-4-5-6-16-7(10)15-8(11,12)9(16,13)14;1-2;/h2-6H2,1H3;1-2H3;1H3
InChIKeySEWUWMOXIXDJIW-UHFFFAOYSA-N
MW291.31 g/mol
LogP4.58
Rot. Bonds5

About azane;ethane;2,4,4,5,5-pentafluoro-1-hexylimidazole

azane;ethane;2,4,4,5,5-pentafluoro-1-hexylimidazole (PubChem CID 174765739) has the molecular formula C11H22F5N3 and a molecular weight of 291.31 g/mol. Its IUPAC name is azane;ethane;2,4,4,5,5-pentafluoro-1-hexylimidazole.

Molecular Properties

Compound Nameazane;ethane;2,4,4,5,5-pentafluoro-1-hexylimidazole
PubChem CID174765739
Molecular FormulaC11H22F5N3
Molecular Weight291.31 g/mol
Exact Mass291.17
IUPAC Nameazane;ethane;2,4,4,5,5-pentafluoro-1-hexylimidazole
SMILESCC.CCCCCCN1C(F)=NC(F)(F)C1(F)F.N
InChIInChI=1S/C9H13F5N2.C2H6.H3N/c1-2-3-4-5-6-16-7(10)15-8(11,12)9(16,13)14;1-2;/h2-6H2,1H3;1-2H3;1H3
InChIKeySEWUWMOXIXDJIW-UHFFFAOYSA-N
XLogP4.58
TPSA50.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;ethane;2,4,4,5,5-pentafluoro-1-hexylimidazole?
The IUPAC name of azane;ethane;2,4,4,5,5-pentafluoro-1-hexylimidazole (CID 174765739) is azane;ethane;2,4,4,5,5-pentafluoro-1-hexylimidazole.
What is the SMILES notation for azane;ethane;2,4,4,5,5-pentafluoro-1-hexylimidazole?
The canonical SMILES for azane;ethane;2,4,4,5,5-pentafluoro-1-hexylimidazole is CC.CCCCCCN1C(F)=NC(F)(F)C1(F)F.N.
What is the InChIKey of azane;ethane;2,4,4,5,5-pentafluoro-1-hexylimidazole?
The InChIKey is SEWUWMOXIXDJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F5N2.C2H6.H3N/c1-2-3-4-5-6-16-7(10)15-8(11,12)9(16,13)14;1-2;/h2-6H2,1H3;1-2H3;1H3.
What are the key properties of azane;ethane;2,4,4,5,5-pentafluoro-1-hexylimidazole?
azane;ethane;2,4,4,5,5-pentafluoro-1-hexylimidazole has a molecular weight of 291.31 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethane;2,4,4,5,5-pentafluoro-1-hexylimidazole is sourced from PubChem (CID 174765739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).