2,2,2-trifluoro-1-[2-thiophen-2-yl-3-(2,2,2-trifluoroacetyl)-2H-imidazol-1-yl]ethanone

C11H6F6N2O2S — CID 827456

IUPAC2,2,2-trifluoro-1-[2-thiophen-2-yl-3-(2,2,2-trifluoroacetyl)-2H-imidazol-1-yl]ethanone
SMILESO=C(N1C=CN(C(=O)C(F)(F)F)C1c1cccs1)C(F)(F)F
InChIInChI=1S/C11H6F6N2O2S/c12-10(13,14)8(20)18-3-4-19(9(21)11(15,16)17)7(18)6-2-1-5-22-6/h1-5,7H
InChIKeyGCOIDCJTVCOMLD-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.01
Rot. Bonds1

About 2,2,2-trifluoro-1-[2-thiophen-2-yl-3-(2,2,2-trifluoroacetyl)-2H-imidazol-1-yl]ethanone

2,2,2-trifluoro-1-[2-thiophen-2-yl-3-(2,2,2-trifluoroacetyl)-2H-imidazol-1-yl]ethanone (PubChem CID 827456) has the molecular formula C11H6F6N2O2S and a molecular weight of 344.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-thiophen-2-yl-3-(2,2,2-trifluoroacetyl)-2H-imidazol-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-thiophen-2-yl-3-(2,2,2-trifluoroacetyl)-2H-imidazol-1-yl]ethanone
PubChem CID827456
Molecular FormulaC11H6F6N2O2S
Molecular Weight344.24 g/mol
Exact Mass344.01
IUPAC Name2,2,2-trifluoro-1-[2-thiophen-2-yl-3-(2,2,2-trifluoroacetyl)-2H-imidazol-1-yl]ethanone
SMILESO=C(N1C=CN(C(=O)C(F)(F)F)C1c1cccs1)C(F)(F)F
InChIInChI=1S/C11H6F6N2O2S/c12-10(13,14)8(20)18-3-4-19(9(21)11(15,16)17)7(18)6-2-1-5-22-6/h1-5,7H
InChIKeyGCOIDCJTVCOMLD-UHFFFAOYSA-N
XLogP3.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-thiophen-2-yl-3-(2,2,2-trifluoroacetyl)-2H-imidazol-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-thiophen-2-yl-3-(2,2,2-trifluoroacetyl)-2H-imidazol-1-yl]ethanone (CID 827456) is 2,2,2-trifluoro-1-[2-thiophen-2-yl-3-(2,2,2-trifluoroacetyl)-2H-imidazol-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-thiophen-2-yl-3-(2,2,2-trifluoroacetyl)-2H-imidazol-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-thiophen-2-yl-3-(2,2,2-trifluoroacetyl)-2H-imidazol-1-yl]ethanone is O=C(N1C=CN(C(=O)C(F)(F)F)C1c1cccs1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[2-thiophen-2-yl-3-(2,2,2-trifluoroacetyl)-2H-imidazol-1-yl]ethanone?
The InChIKey is GCOIDCJTVCOMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6N2O2S/c12-10(13,14)8(20)18-3-4-19(9(21)11(15,16)17)7(18)6-2-1-5-22-6/h1-5,7H.
What are the key properties of 2,2,2-trifluoro-1-[2-thiophen-2-yl-3-(2,2,2-trifluoroacetyl)-2H-imidazol-1-yl]ethanone?
2,2,2-trifluoro-1-[2-thiophen-2-yl-3-(2,2,2-trifluoroacetyl)-2H-imidazol-1-yl]ethanone has a molecular weight of 344.24 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-thiophen-2-yl-3-(2,2,2-trifluoroacetyl)-2H-imidazol-1-yl]ethanone is sourced from PubChem (CID 827456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).