3-(2,2,2-trifluoroacetyl)-1H-pyridin-4-one

C7H4F3NO2 — CID 20606745

IUPAC3-(2,2,2-trifluoroacetyl)-1H-pyridin-4-one
SMILESO=C(c1c[nH]ccc1=O)C(F)(F)F
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)6(13)4-3-11-2-1-5(4)12/h1-3H,(H,11,12)
InChIKeyXWUVMDYYIXXJKT-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.12
Rot. Bonds1

About 3-(2,2,2-trifluoroacetyl)-1H-pyridin-4-one

3-(2,2,2-trifluoroacetyl)-1H-pyridin-4-one (PubChem CID 20606745) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroacetyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoroacetyl)-1H-pyridin-4-one
PubChem CID20606745
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name3-(2,2,2-trifluoroacetyl)-1H-pyridin-4-one
SMILESO=C(c1c[nH]ccc1=O)C(F)(F)F
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)6(13)4-3-11-2-1-5(4)12/h1-3H,(H,11,12)
InChIKeyXWUVMDYYIXXJKT-UHFFFAOYSA-N
XLogP1.12
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroacetyl)-1H-pyridin-4-one?
The IUPAC name of 3-(2,2,2-trifluoroacetyl)-1H-pyridin-4-one (CID 20606745) is 3-(2,2,2-trifluoroacetyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(2,2,2-trifluoroacetyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(2,2,2-trifluoroacetyl)-1H-pyridin-4-one is O=C(c1c[nH]ccc1=O)C(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroacetyl)-1H-pyridin-4-one?
The InChIKey is XWUVMDYYIXXJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-7(9,10)6(13)4-3-11-2-1-5(4)12/h1-3H,(H,11,12).
What are the key properties of 3-(2,2,2-trifluoroacetyl)-1H-pyridin-4-one?
3-(2,2,2-trifluoroacetyl)-1H-pyridin-4-one has a molecular weight of 191.11 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroacetyl)-1H-pyridin-4-one is sourced from PubChem (CID 20606745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).