[(1R,2R)-2-chlorocyclohexyl]selanylbenzene

C12H15ClSe — CID 13225756

IUPAC[(1R,2R)-2-chlorocyclohexyl]selanylbenzene
SMILESCl[C@@H]1CCCC[C@H]1[Se]c1ccccc1
InChIInChI=1S/C12H15ClSe/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2/t11-,12-/m1/s1
InChIKeyDZGYMCQMEIYKMY-VXGBXAGGSA-N
MW273.66 g/mol
LogP2.99
Rot. Bonds2

About [(1R,2R)-2-chlorocyclohexyl]selanylbenzene

[(1R,2R)-2-chlorocyclohexyl]selanylbenzene (PubChem CID 13225756) has the molecular formula C12H15ClSe and a molecular weight of 273.66 g/mol. Its IUPAC name is [(1R,2R)-2-chlorocyclohexyl]selanylbenzene.

Molecular Properties

Compound Name[(1R,2R)-2-chlorocyclohexyl]selanylbenzene
PubChem CID13225756
Molecular FormulaC12H15ClSe
Molecular Weight273.66 g/mol
Exact Mass274.00
IUPAC Name[(1R,2R)-2-chlorocyclohexyl]selanylbenzene
SMILESCl[C@@H]1CCCC[C@H]1[Se]c1ccccc1
InChIInChI=1S/C12H15ClSe/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2/t11-,12-/m1/s1
InChIKeyDZGYMCQMEIYKMY-VXGBXAGGSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.66
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-chlorocyclohexyl]selanylbenzene?
The IUPAC name of [(1R,2R)-2-chlorocyclohexyl]selanylbenzene (CID 13225756) is [(1R,2R)-2-chlorocyclohexyl]selanylbenzene.
What is the SMILES notation for [(1R,2R)-2-chlorocyclohexyl]selanylbenzene?
The canonical SMILES for [(1R,2R)-2-chlorocyclohexyl]selanylbenzene is Cl[C@@H]1CCCC[C@H]1[Se]c1ccccc1.
What is the InChIKey of [(1R,2R)-2-chlorocyclohexyl]selanylbenzene?
The InChIKey is DZGYMCQMEIYKMY-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H15ClSe/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2/t11-,12-/m1/s1.
What are the key properties of [(1R,2R)-2-chlorocyclohexyl]selanylbenzene?
[(1R,2R)-2-chlorocyclohexyl]selanylbenzene has a molecular weight of 273.66 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-chlorocyclohexyl]selanylbenzene is sourced from PubChem (CID 13225756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).