2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone

C21H17F3N2O3 — CID 122251860

IUPAC2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C21H17F3N2O3/c22-21(23,24)18-6-3-7-19(25-18)29-17-11-26(12-17)20(27)13-28-16-9-8-14-4-1-2-5-15(14)10-16/h1-10,17H,11-13H2
InChIKeyZQOJHOWOISWHLV-UHFFFAOYSA-N
MW402.37 g/mol
LogP3.92
Rot. Bonds5

About 2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone

2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone (PubChem CID 122251860) has the molecular formula C21H17F3N2O3 and a molecular weight of 402.37 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
PubChem CID122251860
Molecular FormulaC21H17F3N2O3
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC Name2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C21H17F3N2O3/c22-21(23,24)18-6-3-7-19(25-18)29-17-11-26(12-17)20(27)13-28-16-9-8-14-4-1-2-5-15(14)10-16/h1-10,17H,11-13H2
InChIKeyZQOJHOWOISWHLV-UHFFFAOYSA-N
XLogP3.92
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone with MolForge

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Related Compounds

2-(2,4-dichlorophenoxy)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 122251857
3-(4-methoxyphenyl)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122243164
(4-phenoxyphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251942
2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 122251883
2-thiophen-3-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 122252028
N-(4-ethoxyphenyl)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122252055
2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249548
N,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122252087
2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone
CID 131703658
(4-bromophenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251830
(4-methylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251806
1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 121162475

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
The IUPAC name of 2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone (CID 122251860) is 2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
The canonical SMILES for 2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone is O=C(COc1ccc2ccccc2c1)N1CC(Oc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
The InChIKey is ZQOJHOWOISWHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3/c22-21(23,24)18-6-3-7-19(25-18)29-17-11-26(12-17)20(27)13-28-16-9-8-14-4-1-2-5-15(14)10-16/h1-10,17H,11-13H2.
What are the key properties of 2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone has a molecular weight of 402.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone is sourced from PubChem (CID 122251860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).