3-(4-bromophenyl)azetidine

C9H10BrN — CID 23619

IUPAC3-(4-bromophenyl)azetidine
SMILESBrc1ccc(C2CNC2)cc1
InChIInChI=1S/C9H10BrN/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8,11H,5-6H2
InChIKeyJHJFWWNFVIMSMT-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.14
Rot. Bonds1

About 3-(4-bromophenyl)azetidine

3-(4-bromophenyl)azetidine (PubChem CID 23619) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 3-(4-bromophenyl)azetidine.

Molecular Properties

Compound Name3-(4-bromophenyl)azetidine
PubChem CID23619
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name3-(4-bromophenyl)azetidine
SMILESBrc1ccc(C2CNC2)cc1
InChIInChI=1S/C9H10BrN/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8,11H,5-6H2
InChIKeyJHJFWWNFVIMSMT-UHFFFAOYSA-N
XLogP2.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)azetidine?
The IUPAC name of 3-(4-bromophenyl)azetidine (CID 23619) is 3-(4-bromophenyl)azetidine.
What is the SMILES notation for 3-(4-bromophenyl)azetidine?
The canonical SMILES for 3-(4-bromophenyl)azetidine is Brc1ccc(C2CNC2)cc1.
What is the InChIKey of 3-(4-bromophenyl)azetidine?
The InChIKey is JHJFWWNFVIMSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8,11H,5-6H2.
What are the key properties of 3-(4-bromophenyl)azetidine?
3-(4-bromophenyl)azetidine has a molecular weight of 212.09 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)azetidine is sourced from PubChem (CID 23619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).