(2R)-2-(3-ethyl-4-iodophenyl)azetidine

C11H14IN — CID 130618165

IUPAC(2R)-2-(3-ethyl-4-iodophenyl)azetidine
SMILESCCc1cc([C@H]2CCN2)ccc1I
InChIInChI=1S/C11H14IN/c1-2-8-7-9(3-4-10(8)12)11-5-6-13-11/h3-4,7,11,13H,2,5-6H2,1H3/t11-/m1/s1
InChIKeyNRCOJYXKSOVKBT-LLVKDONJSA-N
MW287.14 g/mol
LogP2.89
Rot. Bonds2

About (2R)-2-(3-ethyl-4-iodophenyl)azetidine

(2R)-2-(3-ethyl-4-iodophenyl)azetidine (PubChem CID 130618165) has the molecular formula C11H14IN and a molecular weight of 287.14 g/mol. Its IUPAC name is (2R)-2-(3-ethyl-4-iodophenyl)azetidine.

Molecular Properties

Compound Name(2R)-2-(3-ethyl-4-iodophenyl)azetidine
PubChem CID130618165
Molecular FormulaC11H14IN
Molecular Weight287.14 g/mol
Exact Mass287.02
IUPAC Name(2R)-2-(3-ethyl-4-iodophenyl)azetidine
SMILESCCc1cc([C@H]2CCN2)ccc1I
InChIInChI=1S/C11H14IN/c1-2-8-7-9(3-4-10(8)12)11-5-6-13-11/h3-4,7,11,13H,2,5-6H2,1H3/t11-/m1/s1
InChIKeyNRCOJYXKSOVKBT-LLVKDONJSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-ethyl-4-iodophenyl)azetidine?
The IUPAC name of (2R)-2-(3-ethyl-4-iodophenyl)azetidine (CID 130618165) is (2R)-2-(3-ethyl-4-iodophenyl)azetidine.
What is the SMILES notation for (2R)-2-(3-ethyl-4-iodophenyl)azetidine?
The canonical SMILES for (2R)-2-(3-ethyl-4-iodophenyl)azetidine is CCc1cc([C@H]2CCN2)ccc1I.
What is the InChIKey of (2R)-2-(3-ethyl-4-iodophenyl)azetidine?
The InChIKey is NRCOJYXKSOVKBT-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14IN/c1-2-8-7-9(3-4-10(8)12)11-5-6-13-11/h3-4,7,11,13H,2,5-6H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-(3-ethyl-4-iodophenyl)azetidine?
(2R)-2-(3-ethyl-4-iodophenyl)azetidine has a molecular weight of 287.14 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-ethyl-4-iodophenyl)azetidine is sourced from PubChem (CID 130618165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).