2,2,2-trifluoro-1-(1-phenylimidazol-2-yl)ethanone

C11H7F3N2O — CID 83388994

IUPAC2,2,2-trifluoro-1-(1-phenylimidazol-2-yl)ethanone
SMILESO=C(c1nccn1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)9(17)10-15-6-7-16(10)8-4-2-1-3-5-8/h1-7H
InChIKeyWAQNNLGCXZNOMJ-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.62
Rot. Bonds2

About 2,2,2-trifluoro-1-(1-phenylimidazol-2-yl)ethanone

2,2,2-trifluoro-1-(1-phenylimidazol-2-yl)ethanone (PubChem CID 83388994) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-phenylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-phenylimidazol-2-yl)ethanone
PubChem CID83388994
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name2,2,2-trifluoro-1-(1-phenylimidazol-2-yl)ethanone
SMILESO=C(c1nccn1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)9(17)10-15-6-7-16(10)8-4-2-1-3-5-8/h1-7H
InChIKeyWAQNNLGCXZNOMJ-UHFFFAOYSA-N
XLogP2.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.62
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-(1-phenylimidazol-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1-phenylimidazol-2-yl)ethanone (CID 83388994) is 2,2,2-trifluoro-1-(1-phenylimidazol-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-phenylimidazol-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1-phenylimidazol-2-yl)ethanone is O=C(c1nccn1-c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1-phenylimidazol-2-yl)ethanone?
The InChIKey is WAQNNLGCXZNOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-11(13,14)9(17)10-15-6-7-16(10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2,2,2-trifluoro-1-(1-phenylimidazol-2-yl)ethanone?
2,2,2-trifluoro-1-(1-phenylimidazol-2-yl)ethanone has a molecular weight of 240.18 g/mol, XLogP of 2.62, 2 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-(1-phenylimidazol-2-yl)ethanone is sourced from PubChem (CID 83388994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).