3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one

C11H14F3NO2 — CID 157041511

IUPAC3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCCc1cc(C(F)(F)F)cn(CCOC)c1=O
InChIInChI=1S/C11H14F3NO2/c1-3-8-6-9(11(12,13)14)7-15(10(8)16)4-5-17-2/h6-7H,3-5H2,1-2H3
InChIKeyMXFZMHOHACYUFO-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.08
Rot. Bonds4

About 3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one

3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 157041511) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID157041511
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCCc1cc(C(F)(F)F)cn(CCOC)c1=O
InChIInChI=1S/C11H14F3NO2/c1-3-8-6-9(11(12,13)14)7-15(10(8)16)4-5-17-2/h6-7H,3-5H2,1-2H3
InChIKeyMXFZMHOHACYUFO-UHFFFAOYSA-N
XLogP2.08
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one (CID 157041511) is 3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one is CCc1cc(C(F)(F)F)cn(CCOC)c1=O.
What is the InChIKey of 3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is MXFZMHOHACYUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-3-8-6-9(11(12,13)14)7-15(10(8)16)4-5-17-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one?
3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 249.23 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 157041511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).