ethane;1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-one

C13H20F3NO2 — CID 144611086

IUPACethane;1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-one
SMILESCC.CC.CC(=O)COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3NO2.2C2H6/c1-6(14)5-15-8-4-2-3-7(13-8)9(10,11)12;2*1-2/h2-4H,5H2,1H3;2*1-2H3
InChIKeyAXGKLGQUAAILAH-UHFFFAOYSA-N
MW279.30 g/mol
LogP4.12
Rot. Bonds3

About ethane;1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-one

ethane;1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-one (PubChem CID 144611086) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is ethane;1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-one.

Molecular Properties

Compound Nameethane;1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-one
PubChem CID144611086
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Nameethane;1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-one
SMILESCC.CC.CC(=O)COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3NO2.2C2H6/c1-6(14)5-15-8-4-2-3-7(13-8)9(10,11)12;2*1-2/h2-4H,5H2,1H3;2*1-2H3
InChIKeyAXGKLGQUAAILAH-UHFFFAOYSA-N
XLogP4.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

2-Methoxy-6-(trifluoromethyl)pyridine
CID 46739474
2-Methoxy-6-methylpyridine
CID 5324773
Pyridine, 2-ethoxy-6-methyl-
CID 4738465
[6-(2,2,2-Trifluoroethoxy)pyridin-2-yl]methanamine
CID 62290450
2-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}ethan-1-amine
CID 62347988
2-Ethoxy-6-fluoropyridine
CID 53424555
2-(Prop-2-yn-1-yloxy)-6-(trifluoromethyl)pyridine
CID 53903078
2-Fluoro-6-(propan-2-yloxy)pyridine
CID 61229350
1-(6-Ethoxypyridin-2-yl)methanamine
CID 62290283
(2-Methoxy-6-(trifluoromethyl)pyridin-3-yl)boronic acid
CID 72210963
(6-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)pyridin-2-yl)methanol
CID 104564147
6-(Difluoromethoxy)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 155970411

Frequently Asked Questions

What is the IUPAC name of ethane;1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-one?
The IUPAC name of ethane;1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-one (CID 144611086) is ethane;1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-one.
What is the SMILES notation for ethane;1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-one?
The canonical SMILES for ethane;1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-one is CC.CC.CC(=O)COc1cccc(C(F)(F)F)n1.
What is the InChIKey of ethane;1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-one?
The InChIKey is AXGKLGQUAAILAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2.2C2H6/c1-6(14)5-15-8-4-2-3-7(13-8)9(10,11)12;2*1-2/h2-4H,5H2,1H3;2*1-2H3.
What are the key properties of ethane;1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-one?
ethane;1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-one has a molecular weight of 279.30 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-one is sourced from PubChem (CID 144611086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).