trans-(1S,2S)-2-(4-fluorophenyl)selanylcyclohexan-1-ol

C12H15FOSe — CID 162399931

IUPACtrans-(1S,2S)-2-(4-fluorophenyl)selanylcyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1[Se]c1ccc(F)cc1
InChIInChI=1S/C12H15FOSe/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,11-12,14H,1-4H2/t11-,12-/m0/s1
InChIKeyVSNYMOKTSMQPLA-RYUDHWBXSA-N
MW273.21 g/mol
LogP1.88
Rot. Bonds2

About trans-(1S,2S)-2-(4-fluorophenyl)selanylcyclohexan-1-ol

trans-(1S,2S)-2-(4-fluorophenyl)selanylcyclohexan-1-ol (PubChem CID 162399931) has the molecular formula C12H15FOSe and a molecular weight of 273.21 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-fluorophenyl)selanylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-fluorophenyl)selanylcyclohexan-1-ol
PubChem CID162399931
Molecular FormulaC12H15FOSe
Molecular Weight273.21 g/mol
Exact Mass274.03
IUPAC Nametrans-(1S,2S)-2-(4-fluorophenyl)selanylcyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1[Se]c1ccc(F)cc1
InChIInChI=1S/C12H15FOSe/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,11-12,14H,1-4H2/t11-,12-/m0/s1
InChIKeyVSNYMOKTSMQPLA-RYUDHWBXSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-fluorophenyl)selanylcyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(4-fluorophenyl)selanylcyclohexan-1-ol (CID 162399931) is trans-(1S,2S)-2-(4-fluorophenyl)selanylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(4-fluorophenyl)selanylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(4-fluorophenyl)selanylcyclohexan-1-ol is O[C@H]1CCCC[C@@H]1[Se]c1ccc(F)cc1.
What is the InChIKey of trans-(1S,2S)-2-(4-fluorophenyl)selanylcyclohexan-1-ol?
The InChIKey is VSNYMOKTSMQPLA-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H15FOSe/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,11-12,14H,1-4H2/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4-fluorophenyl)selanylcyclohexan-1-ol?
trans-(1S,2S)-2-(4-fluorophenyl)selanylcyclohexan-1-ol has a molecular weight of 273.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-fluorophenyl)selanylcyclohexan-1-ol is sourced from PubChem (CID 162399931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).