3-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]-1-propan-2-ylpyridin-2-one

C17H19F3N2O2 — CID 175621160

IUPAC3-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cccc(CC(C)n2cccc(C(F)(F)F)c2=O)c1=O
InChIInChI=1S/C17H19F3N2O2/c1-11(2)21-8-4-6-13(15(21)23)10-12(3)22-9-5-7-14(16(22)24)17(18,19)20/h4-9,11-12H,10H2,1-3H3
InChIKeyIQPQLGGAWJJVAS-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.41
Rot. Bonds4

About 3-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]-1-propan-2-ylpyridin-2-one

3-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]-1-propan-2-ylpyridin-2-one (PubChem CID 175621160) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 3-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]-1-propan-2-ylpyridin-2-one
PubChem CID175621160
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name3-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cccc(CC(C)n2cccc(C(F)(F)F)c2=O)c1=O
InChIInChI=1S/C17H19F3N2O2/c1-11(2)21-8-4-6-13(15(21)23)10-12(3)22-9-5-7-14(16(22)24)17(18,19)20/h4-9,11-12H,10H2,1-3H3
InChIKeyIQPQLGGAWJJVAS-UHFFFAOYSA-N
XLogP3.41
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]-1-propan-2-ylpyridin-2-one (CID 175621160) is 3-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]-1-propan-2-ylpyridin-2-one is CC(C)n1cccc(CC(C)n2cccc(C(F)(F)F)c2=O)c1=O.
What is the InChIKey of 3-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]-1-propan-2-ylpyridin-2-one?
The InChIKey is IQPQLGGAWJJVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-11(2)21-8-4-6-13(15(21)23)10-12(3)22-9-5-7-14(16(22)24)17(18,19)20/h4-9,11-12H,10H2,1-3H3.
What are the key properties of 3-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]-1-propan-2-ylpyridin-2-one?
3-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]-1-propan-2-ylpyridin-2-one has a molecular weight of 340.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 175621160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).