3-[5-chloro-2-(2,2-difluoro-2-phenylethoxy)phenoxy]azetidine

C17H16ClF2NO2 — CID 58405183

IUPAC3-[5-chloro-2-(2,2-difluoro-2-phenylethoxy)phenoxy]azetidine
SMILESFC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1
InChIInChI=1S/C17H16ClF2NO2/c18-13-6-7-15(16(8-13)23-14-9-21-10-14)22-11-17(19,20)12-4-2-1-3-5-12/h1-8,14,21H,9-11H2
InChIKeyGJKAUYNNNVUARP-UHFFFAOYSA-N
MW339.77 g/mol
LogP3.86
Rot. Bonds6

About 3-[5-chloro-2-(2,2-difluoro-2-phenylethoxy)phenoxy]azetidine

3-[5-chloro-2-(2,2-difluoro-2-phenylethoxy)phenoxy]azetidine (PubChem CID 58405183) has the molecular formula C17H16ClF2NO2 and a molecular weight of 339.77 g/mol. Its IUPAC name is 3-[5-chloro-2-(2,2-difluoro-2-phenylethoxy)phenoxy]azetidine.

Molecular Properties

Compound Name3-[5-chloro-2-(2,2-difluoro-2-phenylethoxy)phenoxy]azetidine
PubChem CID58405183
Molecular FormulaC17H16ClF2NO2
Molecular Weight339.77 g/mol
Exact Mass339.08
IUPAC Name3-[5-chloro-2-(2,2-difluoro-2-phenylethoxy)phenoxy]azetidine
SMILESFC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1
InChIInChI=1S/C17H16ClF2NO2/c18-13-6-7-15(16(8-13)23-14-9-21-10-14)22-11-17(19,20)12-4-2-1-3-5-12/h1-8,14,21H,9-11H2
InChIKeyGJKAUYNNNVUARP-UHFFFAOYSA-N
XLogP3.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.77
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(2,2-difluoro-2-phenylethoxy)phenoxy]azetidine?
The IUPAC name of 3-[5-chloro-2-(2,2-difluoro-2-phenylethoxy)phenoxy]azetidine (CID 58405183) is 3-[5-chloro-2-(2,2-difluoro-2-phenylethoxy)phenoxy]azetidine.
What is the SMILES notation for 3-[5-chloro-2-(2,2-difluoro-2-phenylethoxy)phenoxy]azetidine?
The canonical SMILES for 3-[5-chloro-2-(2,2-difluoro-2-phenylethoxy)phenoxy]azetidine is FC(F)(COc1ccc(Cl)cc1OC1CNC1)c1ccccc1.
What is the InChIKey of 3-[5-chloro-2-(2,2-difluoro-2-phenylethoxy)phenoxy]azetidine?
The InChIKey is GJKAUYNNNVUARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO2/c18-13-6-7-15(16(8-13)23-14-9-21-10-14)22-11-17(19,20)12-4-2-1-3-5-12/h1-8,14,21H,9-11H2.
What are the key properties of 3-[5-chloro-2-(2,2-difluoro-2-phenylethoxy)phenoxy]azetidine?
3-[5-chloro-2-(2,2-difluoro-2-phenylethoxy)phenoxy]azetidine has a molecular weight of 339.77 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(2,2-difluoro-2-phenylethoxy)phenoxy]azetidine is sourced from PubChem (CID 58405183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).