ethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium

C8H14BF3N2 — CID 87754387

IUPACethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium
SMILESC=C[B-](F)(F)F.CCn1cc[n+](C)c1
InChIInChI=1S/C6H11N2.C2H3BF3/c1-3-8-5-4-7(2)6-8;1-2-3(4,5)6/h4-6H,3H2,1-2H3;2H,1H2/q+1;-1
InChIKeySTURUKMPZLPKTJ-UHFFFAOYSA-N
MW206.02 g/mol
LogP1.89
Rot. Bonds2

About ethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium

ethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium (PubChem CID 87754387) has the molecular formula C8H14BF3N2 and a molecular weight of 206.02 g/mol. Its IUPAC name is ethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium.

Molecular Properties

Compound Nameethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium
PubChem CID87754387
Molecular FormulaC8H14BF3N2
Molecular Weight206.02 g/mol
Exact Mass206.12
IUPAC Nameethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium
SMILESC=C[B-](F)(F)F.CCn1cc[n+](C)c1
InChIInChI=1S/C6H11N2.C2H3BF3/c1-3-8-5-4-7(2)6-8;1-2-3(4,5)6/h4-6H,3H2,1-2H3;2H,1H2/q+1;-1
InChIKeySTURUKMPZLPKTJ-UHFFFAOYSA-N
XLogP1.89
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.02
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-methylimidazol-3-ium;trihydroiodide
CID 175038579
CID 87529717
CID 87529717
tris(1-ethyl-3-methylimidazol-3-ium);phosphite
CID 140574396
1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium
CID 157370817
1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid
CID 173195338
bis(1-ethyl-3-methylimidazol-3-ium);sulfate
CID 87371593
azane;1-ethyl-3-methylimidazol-3-ium;oxalonitrile
CID 175296554
dicyanoboranuide;1-ethyl-3-methylimidazol-3-ium
CID 173491123
1-ethyl-3-methylimidazol-3-ium;sulfuric acid;sulfur monoxide
CID 160555581
bis(1-ethyl-3-methylimidazol-3-ium);hydrogen sulfate
CID 140689425
1-methyl-3-prop-2-enylimidazol-1-ium;tetrachloroboranuide
CID 175102109
bis(1-ethyl-3-methylimidazol-3-ium);1-fluoro-N-methyl-N-phosphonatomethanamine
CID 178182737

Frequently Asked Questions

What is the IUPAC name of ethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium?
The IUPAC name of ethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium (CID 87754387) is ethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium.
What is the SMILES notation for ethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium?
The canonical SMILES for ethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium is C=C[B-](F)(F)F.CCn1cc[n+](C)c1.
What is the InChIKey of ethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium?
The InChIKey is STURUKMPZLPKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2.C2H3BF3/c1-3-8-5-4-7(2)6-8;1-2-3(4,5)6/h4-6H,3H2,1-2H3;2H,1H2/q+1;-1.
What are the key properties of ethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium?
ethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium has a molecular weight of 206.02 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(trifluoro)boranuide;1-ethyl-3-methylimidazol-3-ium is sourced from PubChem (CID 87754387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).