3-[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenoxy]azetidine

C16H14BrClFNO2 — CID 58405247

IUPAC3-[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenoxy]azetidine
SMILESFc1ccc(COc2ccc(Br)cc2OC2CNC2)cc1Cl
InChIInChI=1S/C16H14BrClFNO2/c17-11-2-4-15(16(6-11)22-12-7-20-8-12)21-9-10-1-3-14(19)13(18)5-10/h1-6,12,20H,7-9H2
InChIKeyXXTXMIUDGNUTOO-UHFFFAOYSA-N
MW386.65 g/mol
LogP4.17
Rot. Bonds5

About 3-[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenoxy]azetidine

3-[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenoxy]azetidine (PubChem CID 58405247) has the molecular formula C16H14BrClFNO2 and a molecular weight of 386.65 g/mol. Its IUPAC name is 3-[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenoxy]azetidine.

Molecular Properties

Compound Name3-[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenoxy]azetidine
PubChem CID58405247
Molecular FormulaC16H14BrClFNO2
Molecular Weight386.65 g/mol
Exact Mass384.99
IUPAC Name3-[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenoxy]azetidine
SMILESFc1ccc(COc2ccc(Br)cc2OC2CNC2)cc1Cl
InChIInChI=1S/C16H14BrClFNO2/c17-11-2-4-15(16(6-11)22-12-7-20-8-12)21-9-10-1-3-14(19)13(18)5-10/h1-6,12,20H,7-9H2
InChIKeyXXTXMIUDGNUTOO-UHFFFAOYSA-N
XLogP4.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.65
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenoxy]azetidine?
The IUPAC name of 3-[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenoxy]azetidine (CID 58405247) is 3-[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenoxy]azetidine.
What is the SMILES notation for 3-[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenoxy]azetidine?
The canonical SMILES for 3-[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenoxy]azetidine is Fc1ccc(COc2ccc(Br)cc2OC2CNC2)cc1Cl.
What is the InChIKey of 3-[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenoxy]azetidine?
The InChIKey is XXTXMIUDGNUTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO2/c17-11-2-4-15(16(6-11)22-12-7-20-8-12)21-9-10-1-3-14(19)13(18)5-10/h1-6,12,20H,7-9H2.
What are the key properties of 3-[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenoxy]azetidine?
3-[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenoxy]azetidine has a molecular weight of 386.65 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenoxy]azetidine is sourced from PubChem (CID 58405247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).