(2-hydroxyselanylphenyl) trifluoromethanesulfonate

C7H5F3O4SSe — CID 101376046

IUPAC(2-hydroxyselanylphenyl) trifluoromethanesulfonate
SMILESO=S(=O)(Oc1ccccc1[Se]O)C(F)(F)F
InChIInChI=1S/C7H5F3O4SSe/c8-7(9,10)15(11,12)14-5-3-1-2-4-6(5)16-13/h1-4,13H
InChIKeySJIXEWKXELNHQF-UHFFFAOYSA-N
MW321.13 g/mol
LogP0.15
Rot. Bonds3

About (2-hydroxyselanylphenyl) trifluoromethanesulfonate

(2-hydroxyselanylphenyl) trifluoromethanesulfonate (PubChem CID 101376046) has the molecular formula C7H5F3O4SSe and a molecular weight of 321.13 g/mol. Its IUPAC name is (2-hydroxyselanylphenyl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(2-hydroxyselanylphenyl) trifluoromethanesulfonate
PubChem CID101376046
Molecular FormulaC7H5F3O4SSe
Molecular Weight321.13 g/mol
Exact Mass321.90
IUPAC Name(2-hydroxyselanylphenyl) trifluoromethanesulfonate
SMILESO=S(=O)(Oc1ccccc1[Se]O)C(F)(F)F
InChIInChI=1S/C7H5F3O4SSe/c8-7(9,10)15(11,12)14-5-3-1-2-4-6(5)16-13/h1-4,13H
InChIKeySJIXEWKXELNHQF-UHFFFAOYSA-N
XLogP0.15
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

[2-(iodomethyl)phenyl] trifluoromethanesulfonate
CID 89393110
ethane;(2-methylphenyl) trifluoromethanesulfonate
CID 91178585
(2-methylsulfanylphenyl) trifluoromethanesulfonate
CID 71444001
(2-pyrimidin-2-ylphenyl) trifluoromethanesulfonate
CID 54523576
(2-trimethylsilylphenyl) trifluoromethanesulfonate;dihydrofluoride
CID 158690774
(2-propanoylphenyl) trifluoromethanesulfonate
CID 11448916
cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate
CID 174845505
(3-hydroxy-2-iodophenyl) trifluoromethanesulfonate
CID 86221831
(3-methoxy-2-phenylphenyl) trifluoromethanesulfonate
CID 145126504
[2-(2-methylphenyl)-3-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate
CID 15213985
[2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate
CID 135020579
[9,10-dioxo-8-(trifluoromethylsulfonyloxy)anthracen-1-yl] trifluoromethanesulfonate
CID 627940

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyselanylphenyl) trifluoromethanesulfonate?
The IUPAC name of (2-hydroxyselanylphenyl) trifluoromethanesulfonate (CID 101376046) is (2-hydroxyselanylphenyl) trifluoromethanesulfonate.
What is the SMILES notation for (2-hydroxyselanylphenyl) trifluoromethanesulfonate?
The canonical SMILES for (2-hydroxyselanylphenyl) trifluoromethanesulfonate is O=S(=O)(Oc1ccccc1[Se]O)C(F)(F)F.
What is the InChIKey of (2-hydroxyselanylphenyl) trifluoromethanesulfonate?
The InChIKey is SJIXEWKXELNHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O4SSe/c8-7(9,10)15(11,12)14-5-3-1-2-4-6(5)16-13/h1-4,13H.
What are the key properties of (2-hydroxyselanylphenyl) trifluoromethanesulfonate?
(2-hydroxyselanylphenyl) trifluoromethanesulfonate has a molecular weight of 321.13 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyselanylphenyl) trifluoromethanesulfonate is sourced from PubChem (CID 101376046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).