3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride

C9H10BrClFNO — CID 67300218

IUPAC3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride
SMILESCl.Fc1ccc(Br)c(OC2CNC2)c1
InChIInChI=1S/C9H9BrFNO.ClH/c10-8-2-1-6(11)3-9(8)13-7-4-12-5-7;/h1-3,7,12H,4-5H2;1H
InChIKeyOBOZMCYRDZSRHD-UHFFFAOYSA-N
MW282.54 g/mol
LogP2.36
Rot. Bonds2

About 3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride

3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride (PubChem CID 67300218) has the molecular formula C9H10BrClFNO and a molecular weight of 282.54 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride
PubChem CID67300218
Molecular FormulaC9H10BrClFNO
Molecular Weight282.54 g/mol
Exact Mass280.96
IUPAC Name3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride
SMILESCl.Fc1ccc(Br)c(OC2CNC2)c1
InChIInChI=1S/C9H9BrFNO.ClH/c10-8-2-1-6(11)3-9(8)13-7-4-12-5-7;/h1-3,7,12H,4-5H2;1H
InChIKeyOBOZMCYRDZSRHD-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.54
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride?
The IUPAC name of 3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride (CID 67300218) is 3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride.
What is the SMILES notation for 3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride?
The canonical SMILES for 3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride is Cl.Fc1ccc(Br)c(OC2CNC2)c1.
What is the InChIKey of 3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride?
The InChIKey is OBOZMCYRDZSRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO.ClH/c10-8-2-1-6(11)3-9(8)13-7-4-12-5-7;/h1-3,7,12H,4-5H2;1H.
What are the key properties of 3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride?
3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride has a molecular weight of 282.54 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluorophenoxy)azetidine;hydrochloride is sourced from PubChem (CID 67300218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).