2,2,2-trifluoro-1-(1H-imidazol-5-yl)ethanone

C5H3F3N2O — CID 565427

IUPAC2,2,2-trifluoro-1-(1H-imidazol-5-yl)ethanone
SMILESO=C(c1cnc[nH]1)C(F)(F)F
InChIInChI=1S/C5H3F3N2O/c6-5(7,8)4(11)3-1-9-2-10-3/h1-2H,(H,9,10)
InChIKeyDTRWRNCRULZQCX-UHFFFAOYSA-N
MW164.09 g/mol
LogP1.15
Rot. Bonds1

About 2,2,2-trifluoro-1-(1H-imidazol-5-yl)ethanone

2,2,2-trifluoro-1-(1H-imidazol-5-yl)ethanone (PubChem CID 565427) has the molecular formula C5H3F3N2O and a molecular weight of 164.09 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1H-imidazol-5-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1H-imidazol-5-yl)ethanone
PubChem CID565427
Molecular FormulaC5H3F3N2O
Molecular Weight164.09 g/mol
Exact Mass164.02
IUPAC Name2,2,2-trifluoro-1-(1H-imidazol-5-yl)ethanone
SMILESO=C(c1cnc[nH]1)C(F)(F)F
InChIInChI=1S/C5H3F3N2O/c6-5(7,8)4(11)3-1-9-2-10-3/h1-2H,(H,9,10)
InChIKeyDTRWRNCRULZQCX-UHFFFAOYSA-N
XLogP1.15
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.09
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1H-imidazol-5-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1H-imidazol-5-yl)ethanone (CID 565427) is 2,2,2-trifluoro-1-(1H-imidazol-5-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1H-imidazol-5-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1H-imidazol-5-yl)ethanone is O=C(c1cnc[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1H-imidazol-5-yl)ethanone?
The InChIKey is DTRWRNCRULZQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O/c6-5(7,8)4(11)3-1-9-2-10-3/h1-2H,(H,9,10).
What are the key properties of 2,2,2-trifluoro-1-(1H-imidazol-5-yl)ethanone?
2,2,2-trifluoro-1-(1H-imidazol-5-yl)ethanone has a molecular weight of 164.09 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1H-imidazol-5-yl)ethanone is sourced from PubChem (CID 565427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).