(2S)-2-(4-bromophenyl)azetidine

C9H10BrN — CID 91980119

IUPAC(2S)-2-(4-bromophenyl)azetidine
SMILESBrc1ccc([C@@H]2CCN2)cc1
InChIInChI=1S/C9H10BrN/c10-8-3-1-7(2-4-8)9-5-6-11-9/h1-4,9,11H,5-6H2/t9-/m0/s1
InChIKeyKJWNZTPBMDNIPA-VIFPVBQESA-N
MW212.09 g/mol
LogP2.48
Rot. Bonds1

About (2S)-2-(4-bromophenyl)azetidine

(2S)-2-(4-bromophenyl)azetidine (PubChem CID 91980119) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)azetidine.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)azetidine
PubChem CID91980119
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name(2S)-2-(4-bromophenyl)azetidine
SMILESBrc1ccc([C@@H]2CCN2)cc1
InChIInChI=1S/C9H10BrN/c10-8-3-1-7(2-4-8)9-5-6-11-9/h1-4,9,11H,5-6H2/t9-/m0/s1
InChIKeyKJWNZTPBMDNIPA-VIFPVBQESA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)azetidine?
The IUPAC name of (2S)-2-(4-bromophenyl)azetidine (CID 91980119) is (2S)-2-(4-bromophenyl)azetidine.
What is the SMILES notation for (2S)-2-(4-bromophenyl)azetidine?
The canonical SMILES for (2S)-2-(4-bromophenyl)azetidine is Brc1ccc([C@@H]2CCN2)cc1.
What is the InChIKey of (2S)-2-(4-bromophenyl)azetidine?
The InChIKey is KJWNZTPBMDNIPA-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10BrN/c10-8-3-1-7(2-4-8)9-5-6-11-9/h1-4,9,11H,5-6H2/t9-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenyl)azetidine?
(2S)-2-(4-bromophenyl)azetidine has a molecular weight of 212.09 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)azetidine is sourced from PubChem (CID 91980119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).