2-(2,4-dichlorophenoxy)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone

C17H13Cl2F3N2O3 — CID 122251857

IUPAC2-(2,4-dichlorophenoxy)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C17H13Cl2F3N2O3/c18-10-4-5-13(12(19)6-10)26-9-16(25)24-7-11(8-24)27-15-3-1-2-14(23-15)17(20,21)22/h1-6,11H,7-9H2
InChIKeyYXWXCFWVKBHRIY-UHFFFAOYSA-N
MW421.20 g/mol
LogP4.08
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone

2-(2,4-dichlorophenoxy)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone (PubChem CID 122251857) has the molecular formula C17H13Cl2F3N2O3 and a molecular weight of 421.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
PubChem CID122251857
Molecular FormulaC17H13Cl2F3N2O3
Molecular Weight421.20 g/mol
Exact Mass420.03
IUPAC Name2-(2,4-dichlorophenoxy)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C17H13Cl2F3N2O3/c18-10-4-5-13(12(19)6-10)26-9-16(25)24-7-11(8-24)27-15-3-1-2-14(23-15)17(20,21)22/h1-6,11H,7-9H2
InChIKeyYXWXCFWVKBHRIY-UHFFFAOYSA-N
XLogP4.08
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.20
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yloxy-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 122251860
1-[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 155952715
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
2-(2,4-dichlorophenoxy)-1-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]ethanone
CID 133115148
1-(4-chlorophenyl)-4-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyrrolidin-2-one
CID 122251907
N,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122252087
1-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 166893420
2-(2,4-dichlorophenoxy)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261314
3-(4-methoxyphenyl)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122243164
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108533425
2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252095

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone (CID 122251857) is 2-(2,4-dichlorophenoxy)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone is O=C(COc1ccc(Cl)cc1Cl)N1CC(Oc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
The InChIKey is YXWXCFWVKBHRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F3N2O3/c18-10-4-5-13(12(19)6-10)26-9-16(25)24-7-11(8-24)27-15-3-1-2-14(23-15)17(20,21)22/h1-6,11H,7-9H2.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
2-(2,4-dichlorophenoxy)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone has a molecular weight of 421.20 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone is sourced from PubChem (CID 122251857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).