1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

C12H19F3N2O — CID 102657076

IUPAC1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCC1(OCCN2CC=C(C(F)(F)F)CC2)CNC1
InChIInChI=1S/C12H19F3N2O/c1-11(8-16-9-11)18-7-6-17-4-2-10(3-5-17)12(13,14)15/h2,16H,3-9H2,1H3
InChIKeyOWCALWXDUUVTLE-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.56
Rot. Bonds4

About 1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 102657076) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID102657076
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCC1(OCCN2CC=C(C(F)(F)F)CC2)CNC1
InChIInChI=1S/C12H19F3N2O/c1-11(8-16-9-11)18-7-6-17-4-2-10(3-5-17)12(13,14)15/h2,16H,3-9H2,1H3
InChIKeyOWCALWXDUUVTLE-UHFFFAOYSA-N
XLogP1.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine with MolForge

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Related Compounds

2-(3-methylazetidin-3-yl)oxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 102656652
2-methoxy-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 106115050
2-ethoxy-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 113591606
2-ethoxy-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 114489675
2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine
CID 114490204
N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114490234
1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 102657073
4-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 102657074
5-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 106314942

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 102657076) is 1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is CC1(OCCN2CC=C(C(F)(F)F)CC2)CNC1.
What is the InChIKey of 1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is OWCALWXDUUVTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-11(8-16-9-11)18-7-6-17-4-2-10(3-5-17)12(13,14)15/h2,16H,3-9H2,1H3.
What are the key properties of 1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 264.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylazetidin-3-yl)oxyethyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 102657076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).