1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanone

C7H5F3N2O — CID 83389030

IUPAC1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanone
SMILESC=Cn1ccnc1C(=O)C(F)(F)F
InChIInChI=1S/C7H5F3N2O/c1-2-12-4-3-11-6(12)5(13)7(8,9)10/h2-4H,1H2
InChIKeyYSGBQGGTWCPFIH-UHFFFAOYSA-N
MW190.12 g/mol
LogP1.73
Rot. Bonds2

About 1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanone

1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanone (PubChem CID 83389030) has the molecular formula C7H5F3N2O and a molecular weight of 190.12 g/mol. Its IUPAC name is 1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanone
PubChem CID83389030
Molecular FormulaC7H5F3N2O
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC Name1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanone
SMILESC=Cn1ccnc1C(=O)C(F)(F)F
InChIInChI=1S/C7H5F3N2O/c1-2-12-4-3-11-6(12)5(13)7(8,9)10/h2-4H,1H2
InChIKeyYSGBQGGTWCPFIH-UHFFFAOYSA-N
XLogP1.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanone (CID 83389030) is 1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanone is C=Cn1ccnc1C(=O)C(F)(F)F.
What is the InChIKey of 1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanone?
The InChIKey is YSGBQGGTWCPFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O/c1-2-12-4-3-11-6(12)5(13)7(8,9)10/h2-4H,1H2.
What are the key properties of 1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanone?
1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanone has a molecular weight of 190.12 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethenylimidazol-2-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 83389030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).