[1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium-2-yl] 2-methylprop-2-enoate

C10H11F4N2O2+ — CID 91269274

IUPAC[1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1n(C(F)(F)C(F)F)cc[n+]1C
InChIInChI=1S/C10H11F4N2O2/c1-6(2)7(17)18-9-15(3)4-5-16(9)10(13,14)8(11)12/h4-5,8H,1H2,2-3H3/q+1
InChIKeyHUWOIOQXHVPKGD-UHFFFAOYSA-N
MW267.20 g/mol
LogP1.61
Rot. Bonds4

About [1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium-2-yl] 2-methylprop-2-enoate

[1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium-2-yl] 2-methylprop-2-enoate (PubChem CID 91269274) has the molecular formula C10H11F4N2O2+ and a molecular weight of 267.20 g/mol. Its IUPAC name is [1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium-2-yl] 2-methylprop-2-enoate
PubChem CID91269274
Molecular FormulaC10H11F4N2O2+
Molecular Weight267.20 g/mol
Exact Mass267.08
IUPAC Name[1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1n(C(F)(F)C(F)F)cc[n+]1C
InChIInChI=1S/C10H11F4N2O2/c1-6(2)7(17)18-9-15(3)4-5-16(9)10(13,14)8(11)12/h4-5,8H,1H2,2-3H3/q+1
InChIKeyHUWOIOQXHVPKGD-UHFFFAOYSA-N
XLogP1.61
TPSA35.11 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'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-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium-2-yl] 2-methylprop-2-enoate (CID 91269274) is [1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1n(C(F)(F)C(F)F)cc[n+]1C.
What is the InChIKey of [1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium-2-yl] 2-methylprop-2-enoate?
The InChIKey is HUWOIOQXHVPKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N2O2/c1-6(2)7(17)18-9-15(3)4-5-16(9)10(13,14)8(11)12/h4-5,8H,1H2,2-3H3/q+1.
What are the key properties of [1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium-2-yl] 2-methylprop-2-enoate?
[1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium-2-yl] 2-methylprop-2-enoate has a molecular weight of 267.20 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(1,1,2,2-tetrafluoroethyl)imidazol-1-ium-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 91269274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).