3-[2-(2,6-dichlorophenoxy)-6-fluorophenoxy]azetidine

C15H12Cl2FNO2 — CID 53319429

IUPAC3-[2-(2,6-dichlorophenoxy)-6-fluorophenoxy]azetidine
SMILESFc1cccc(Oc2c(Cl)cccc2Cl)c1OC1CNC1
InChIInChI=1S/C15H12Cl2FNO2/c16-10-3-1-4-11(17)14(10)21-13-6-2-5-12(18)15(13)20-9-7-19-8-9/h1-6,9,19H,7-8H2
InChIKeyVWOHPBLHZAONKH-UHFFFAOYSA-N
MW328.17 g/mol
LogP4.28
Rot. Bonds4

About 3-[2-(2,6-dichlorophenoxy)-6-fluorophenoxy]azetidine

3-[2-(2,6-dichlorophenoxy)-6-fluorophenoxy]azetidine (PubChem CID 53319429) has the molecular formula C15H12Cl2FNO2 and a molecular weight of 328.17 g/mol. Its IUPAC name is 3-[2-(2,6-dichlorophenoxy)-6-fluorophenoxy]azetidine.

Molecular Properties

Compound Name3-[2-(2,6-dichlorophenoxy)-6-fluorophenoxy]azetidine
PubChem CID53319429
Molecular FormulaC15H12Cl2FNO2
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Name3-[2-(2,6-dichlorophenoxy)-6-fluorophenoxy]azetidine
SMILESFc1cccc(Oc2c(Cl)cccc2Cl)c1OC1CNC1
InChIInChI=1S/C15H12Cl2FNO2/c16-10-3-1-4-11(17)14(10)21-13-6-2-5-12(18)15(13)20-9-7-19-8-9/h1-6,9,19H,7-8H2
InChIKeyVWOHPBLHZAONKH-UHFFFAOYSA-N
XLogP4.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dichlorophenoxy)-6-fluorophenoxy]azetidine?
The IUPAC name of 3-[2-(2,6-dichlorophenoxy)-6-fluorophenoxy]azetidine (CID 53319429) is 3-[2-(2,6-dichlorophenoxy)-6-fluorophenoxy]azetidine.
What is the SMILES notation for 3-[2-(2,6-dichlorophenoxy)-6-fluorophenoxy]azetidine?
The canonical SMILES for 3-[2-(2,6-dichlorophenoxy)-6-fluorophenoxy]azetidine is Fc1cccc(Oc2c(Cl)cccc2Cl)c1OC1CNC1.
What is the InChIKey of 3-[2-(2,6-dichlorophenoxy)-6-fluorophenoxy]azetidine?
The InChIKey is VWOHPBLHZAONKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO2/c16-10-3-1-4-11(17)14(10)21-13-6-2-5-12(18)15(13)20-9-7-19-8-9/h1-6,9,19H,7-8H2.
What are the key properties of 3-[2-(2,6-dichlorophenoxy)-6-fluorophenoxy]azetidine?
3-[2-(2,6-dichlorophenoxy)-6-fluorophenoxy]azetidine has a molecular weight of 328.17 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dichlorophenoxy)-6-fluorophenoxy]azetidine is sourced from PubChem (CID 53319429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).