1-ethenylimidazole;1,1,2,4,4,4-hexafluorobutyl prop-2-enoate

C12H12F6N2O2 — CID 174271151

IUPAC1-ethenylimidazole;1,1,2,4,4,4-hexafluorobutyl prop-2-enoate
SMILESC=CC(=O)OC(F)(F)C(F)CC(F)(F)F.C=Cn1ccnc1
InChIInChI=1S/C7H6F6O2.C5H6N2/c1-2-5(14)15-7(12,13)4(8)3-6(9,10)11;1-2-7-4-3-6-5-7/h2,4H,1,3H2;2-5H,1H2
InChIKeyUMMVMGQHIKBQMV-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.58
Rot. Bonds5

About 1-ethenylimidazole;1,1,2,4,4,4-hexafluorobutyl prop-2-enoate

1-ethenylimidazole;1,1,2,4,4,4-hexafluorobutyl prop-2-enoate (PubChem CID 174271151) has the molecular formula C12H12F6N2O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 1-ethenylimidazole;1,1,2,4,4,4-hexafluorobutyl prop-2-enoate.

Molecular Properties

Compound Name1-ethenylimidazole;1,1,2,4,4,4-hexafluorobutyl prop-2-enoate
PubChem CID174271151
Molecular FormulaC12H12F6N2O2
Molecular Weight330.23 g/mol
Exact Mass330.08
IUPAC Name1-ethenylimidazole;1,1,2,4,4,4-hexafluorobutyl prop-2-enoate
SMILESC=CC(=O)OC(F)(F)C(F)CC(F)(F)F.C=Cn1ccnc1
InChIInChI=1S/C7H6F6O2.C5H6N2/c1-2-5(14)15-7(12,13)4(8)3-6(9,10)11;1-2-7-4-3-6-5-7/h2,4H,1,3H2;2-5H,1H2
InChIKeyUMMVMGQHIKBQMV-UHFFFAOYSA-N
XLogP3.58
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tetrakis(1-ethenylimidazole);tetrahydrofluoride
CID 173041654
1,1,2,3,3,3-hexafluoropropyl prop-2-enoate
CID 21470424
magnesium;1-ethenylimidazole;hydride;hydrochloride
CID 174736374
1-ethenylimidazole;hydrogen sulfite
CID 174466052
1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate
CID 70536973
1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate
CID 139906170
1-ethenylimidazole;[3-(3-sulfanylpropanoyloxy)-2-[[3-(3-sulfanylpropanoyloxy)-2,2-bis(3-sulfanylpropanoyloxymethyl)propoxy]methyl]-2-(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoate
CID 169424824
1-ethenylimidazole;2-imidazol-1-ylethanol
CID 161193576
6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole
CID 174979637
octakis(1-ethenylimidazole);bis(nickel(2+));tetraisothiocyanate
CID 139072947
1-ethenylimidazole;4-ethenylpyridine;2-imidazol-1-ylethyl 2-methylprop-2-enoate;2-imidazol-1-ylethyl prop-2-enoate;1-prop-2-enylimidazole
CID 159784719
trifluoromethyl prop-2-enoate
CID 10197737

Frequently Asked Questions

What is the IUPAC name of 1-ethenylimidazole;1,1,2,4,4,4-hexafluorobutyl prop-2-enoate?
The IUPAC name of 1-ethenylimidazole;1,1,2,4,4,4-hexafluorobutyl prop-2-enoate (CID 174271151) is 1-ethenylimidazole;1,1,2,4,4,4-hexafluorobutyl prop-2-enoate.
What is the SMILES notation for 1-ethenylimidazole;1,1,2,4,4,4-hexafluorobutyl prop-2-enoate?
The canonical SMILES for 1-ethenylimidazole;1,1,2,4,4,4-hexafluorobutyl prop-2-enoate is C=CC(=O)OC(F)(F)C(F)CC(F)(F)F.C=Cn1ccnc1.
What is the InChIKey of 1-ethenylimidazole;1,1,2,4,4,4-hexafluorobutyl prop-2-enoate?
The InChIKey is UMMVMGQHIKBQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6O2.C5H6N2/c1-2-5(14)15-7(12,13)4(8)3-6(9,10)11;1-2-7-4-3-6-5-7/h2,4H,1,3H2;2-5H,1H2.
What are the key properties of 1-ethenylimidazole;1,1,2,4,4,4-hexafluorobutyl prop-2-enoate?
1-ethenylimidazole;1,1,2,4,4,4-hexafluorobutyl prop-2-enoate has a molecular weight of 330.23 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylimidazole;1,1,2,4,4,4-hexafluorobutyl prop-2-enoate is sourced from PubChem (CID 174271151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).