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

C8H8F3NO — CID 89003285

IUPAC3-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCc1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H8F3NO/c1-2-5-3-4-6(8(9,10)11)12-7(5)13/h3-4H,2H2,1H3,(H,12,13)
InChIKeyDWFJHQMSSFUWOP-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.96
Rot. Bonds1

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

3-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 89003285) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 3-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID89003285
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name3-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCCc1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H8F3NO/c1-2-5-3-4-6(8(9,10)11)12-7(5)13/h3-4H,2H2,1H3,(H,12,13)
InChIKeyDWFJHQMSSFUWOP-UHFFFAOYSA-N
XLogP1.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one (CID 89003285) is 3-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one is CCc1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 3-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is DWFJHQMSSFUWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-2-5-3-4-6(8(9,10)11)12-7(5)13/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of 3-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one?
3-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 191.15 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 89003285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).