2-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-1-one

C12H14F3NO2 — CID 162613726

IUPAC2-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-1-one
SMILESCCCC(OC)C(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H14F3NO2/c1-3-4-9(18-2)11(17)8-5-6-10(16-7-8)12(13,14)15/h5-7,9H,3-4H2,1-2H3
InChIKeyCETSDYFVKXENPZ-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.10
Rot. Bonds5

About 2-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-1-one

2-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-1-one (PubChem CID 162613726) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-1-one.

Molecular Properties

Compound Name2-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-1-one
PubChem CID162613726
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-1-one
SMILESCCCC(OC)C(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H14F3NO2/c1-3-4-9(18-2)11(17)8-5-6-10(16-7-8)12(13,14)15/h5-7,9H,3-4H2,1-2H3
InChIKeyCETSDYFVKXENPZ-UHFFFAOYSA-N
XLogP3.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-1-one?
The IUPAC name of 2-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-1-one (CID 162613726) is 2-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-1-one.
What is the SMILES notation for 2-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-1-one?
The canonical SMILES for 2-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-1-one is CCCC(OC)C(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-1-one?
The InChIKey is CETSDYFVKXENPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-3-4-9(18-2)11(17)8-5-6-10(16-7-8)12(13,14)15/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 2-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-1-one?
2-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-1-one has a molecular weight of 261.24 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pentan-1-one is sourced from PubChem (CID 162613726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).