[(8S)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]selanyl trifluoromethanesulfonate

C11H11F3O4SSe — CID 11025179

IUPAC[(8S)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]selanyl trifluoromethanesulfonate
SMILESO=S(=O)(O[Se]c1cccc2c1[C@@H](O)CCC2)C(F)(F)F
InChIInChI=1S/C11H11F3O4SSe/c12-11(13,14)19(16,17)18-20-9-6-2-4-7-3-1-5-8(15)10(7)9/h2,4,6,8,15H,1,3,5H2/t8-/m0/s1
InChIKeyXGZDFBFPYKALFO-QMMMGPOBSA-N
MW375.23 g/mol
LogP1.17
Rot. Bonds3

About [(8S)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]selanyl trifluoromethanesulfonate

[(8S)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]selanyl trifluoromethanesulfonate (PubChem CID 11025179) has the molecular formula C11H11F3O4SSe and a molecular weight of 375.23 g/mol. Its IUPAC name is [(8S)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]selanyl trifluoromethanesulfonate.

Molecular Properties

Compound Name[(8S)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]selanyl trifluoromethanesulfonate
PubChem CID11025179
Molecular FormulaC11H11F3O4SSe
Molecular Weight375.23 g/mol
Exact Mass375.95
IUPAC Name[(8S)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]selanyl trifluoromethanesulfonate
SMILESO=S(=O)(O[Se]c1cccc2c1[C@@H](O)CCC2)C(F)(F)F
InChIInChI=1S/C11H11F3O4SSe/c12-11(13,14)19(16,17)18-20-9-6-2-4-7-3-1-5-8(15)10(7)9/h2,4,6,8,15H,1,3,5H2/t8-/m0/s1
InChIKeyXGZDFBFPYKALFO-QMMMGPOBSA-N
XLogP1.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(8S)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]selanyl trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(8S)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]selanyl trifluoromethanesulfonate?
The IUPAC name of [(8S)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]selanyl trifluoromethanesulfonate (CID 11025179) is [(8S)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]selanyl trifluoromethanesulfonate.
What is the SMILES notation for [(8S)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]selanyl trifluoromethanesulfonate?
The canonical SMILES for [(8S)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]selanyl trifluoromethanesulfonate is O=S(=O)(O[Se]c1cccc2c1[C@@H](O)CCC2)C(F)(F)F.
What is the InChIKey of [(8S)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]selanyl trifluoromethanesulfonate?
The InChIKey is XGZDFBFPYKALFO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11F3O4SSe/c12-11(13,14)19(16,17)18-20-9-6-2-4-7-3-1-5-8(15)10(7)9/h2,4,6,8,15H,1,3,5H2/t8-/m0/s1.
What are the key properties of [(8S)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]selanyl trifluoromethanesulfonate?
[(8S)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]selanyl trifluoromethanesulfonate has a molecular weight of 375.23 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-8-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]selanyl trifluoromethanesulfonate is sourced from PubChem (CID 11025179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).