3-acetyl-6-(trifluoromethyl)-1H-pyridin-2-one

C8H6F3NO2 — CID 14043510

IUPAC3-acetyl-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H6F3NO2/c1-4(13)5-2-3-6(8(9,10)11)12-7(5)14/h2-3H,1H3,(H,12,14)
InChIKeyOCXZQCGYAFJZQA-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.60
Rot. Bonds1

About 3-acetyl-6-(trifluoromethyl)-1H-pyridin-2-one

3-acetyl-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 14043510) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 3-acetyl-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-acetyl-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID14043510
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name3-acetyl-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H6F3NO2/c1-4(13)5-2-3-6(8(9,10)11)12-7(5)14/h2-3H,1H3,(H,12,14)
InChIKeyOCXZQCGYAFJZQA-UHFFFAOYSA-N
XLogP1.60
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-acetyl-6-(trifluoromethyl)-1H-pyridin-2-one (CID 14043510) is 3-acetyl-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-acetyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-acetyl-6-(trifluoromethyl)-1H-pyridin-2-one is CC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-acetyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is OCXZQCGYAFJZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c1-4(13)5-2-3-6(8(9,10)11)12-7(5)14/h2-3H,1H3,(H,12,14).
What are the key properties of 3-acetyl-6-(trifluoromethyl)-1H-pyridin-2-one?
3-acetyl-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 205.13 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 14043510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).