1,2-dimethyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazol-1-ium

C10H9F10N2O+ — CID 87105368

IUPAC1,2-dimethyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazol-1-ium
SMILESCc1n(C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F)cc[n+]1C
InChIInChI=1S/C10H9F10N2O/c1-5-21(2)3-4-22(5)7(12,13)6(11)23-10(19,20)8(14,15)9(16,17)18/h3-4,6H,1-2H3/q+1
InChIKeyJRTWQZYXVURSJH-UHFFFAOYSA-N
MW363.18 g/mol
LogP3.27
Rot. Bonds5

About 1,2-dimethyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazol-1-ium

1,2-dimethyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazol-1-ium (PubChem CID 87105368) has the molecular formula C10H9F10N2O+ and a molecular weight of 363.18 g/mol. Its IUPAC name is 1,2-dimethyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazol-1-ium.

Molecular Properties

Compound Name1,2-dimethyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazol-1-ium
PubChem CID87105368
Molecular FormulaC10H9F10N2O+
Molecular Weight363.18 g/mol
Exact Mass363.05
IUPAC Name1,2-dimethyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazol-1-ium
SMILESCc1n(C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F)cc[n+]1C
InChIInChI=1S/C10H9F10N2O/c1-5-21(2)3-4-22(5)7(12,13)6(11)23-10(19,20)8(14,15)9(16,17)18/h3-4,6H,1-2H3/q+1
InChIKeyJRTWQZYXVURSJH-UHFFFAOYSA-N
XLogP3.27
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazol-1-ium?
The IUPAC name of 1,2-dimethyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazol-1-ium (CID 87105368) is 1,2-dimethyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazol-1-ium.
What is the SMILES notation for 1,2-dimethyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazol-1-ium?
The canonical SMILES for 1,2-dimethyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazol-1-ium is Cc1n(C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F)cc[n+]1C.
What is the InChIKey of 1,2-dimethyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazol-1-ium?
The InChIKey is JRTWQZYXVURSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F10N2O/c1-5-21(2)3-4-22(5)7(12,13)6(11)23-10(19,20)8(14,15)9(16,17)18/h3-4,6H,1-2H3/q+1.
What are the key properties of 1,2-dimethyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazol-1-ium?
1,2-dimethyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazol-1-ium has a molecular weight of 363.18 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]imidazol-1-ium is sourced from PubChem (CID 87105368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).