3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]azetidine

C15H12ClF2NO2 — CID 45102635

IUPAC3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]azetidine
SMILESFc1cccc(Cl)c1Oc1cccc(F)c1OC1CNC1
InChIInChI=1S/C15H12ClF2NO2/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
InChIKeyCUHDMEXRHJPGHR-UHFFFAOYSA-N
MW311.72 g/mol
LogP3.76
Rot. Bonds4

About 3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]azetidine

3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]azetidine (PubChem CID 45102635) has the molecular formula C15H12ClF2NO2 and a molecular weight of 311.72 g/mol. Its IUPAC name is 3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]azetidine.

Molecular Properties

Compound Name3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]azetidine
PubChem CID45102635
Molecular FormulaC15H12ClF2NO2
Molecular Weight311.72 g/mol
Exact Mass311.05
IUPAC Name3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]azetidine
SMILESFc1cccc(Cl)c1Oc1cccc(F)c1OC1CNC1
InChIInChI=1S/C15H12ClF2NO2/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
InChIKeyCUHDMEXRHJPGHR-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]azetidine?
The IUPAC name of 3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]azetidine (CID 45102635) is 3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]azetidine.
What is the SMILES notation for 3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]azetidine?
The canonical SMILES for 3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]azetidine is Fc1cccc(Cl)c1Oc1cccc(F)c1OC1CNC1.
What is the InChIKey of 3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]azetidine?
The InChIKey is CUHDMEXRHJPGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO2/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-chloro-6-fluorophenoxy)-6-fluorophenoxy]azetidine?
3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]azetidine has a molecular weight of 311.72 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]azetidine is sourced from PubChem (CID 45102635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).