1,1,2,2-tetrafluoro-5-[2-hydroxy-4-(4-hydroxyphenyl)tellanylphenoxy]-5-oxopentane-1-sulfonate

C17H13F4O7STe- — CID 165156272

IUPAC1,1,2,2-tetrafluoro-5-[2-hydroxy-4-(4-hydroxyphenyl)tellanylphenoxy]-5-oxopentane-1-sulfonate
SMILESO=C(CCC(F)(F)C(F)(F)S(=O)(=O)[O-])Oc1ccc([Te]c2ccc(O)cc2)cc1O
InChIInChI=1S/C17H14F4O7STe/c18-16(19,17(20,21)29(25,26)27)8-7-15(24)28-14-6-5-12(9-13(14)23)30-11-3-1-10(22)2-4-11/h1-6,9,22-23H,7-8H2,(H,25,26,27)/p-1
InChIKeyOCOIMCLHENLWIO-UHFFFAOYSA-M
MW564.94 g/mol
LogP1.21
Rot. Bonds8

About 1,1,2,2-tetrafluoro-5-[2-hydroxy-4-(4-hydroxyphenyl)tellanylphenoxy]-5-oxopentane-1-sulfonate

1,1,2,2-tetrafluoro-5-[2-hydroxy-4-(4-hydroxyphenyl)tellanylphenoxy]-5-oxopentane-1-sulfonate (PubChem CID 165156272) has the molecular formula C17H13F4O7STe- and a molecular weight of 564.94 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-5-[2-hydroxy-4-(4-hydroxyphenyl)tellanylphenoxy]-5-oxopentane-1-sulfonate.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-5-[2-hydroxy-4-(4-hydroxyphenyl)tellanylphenoxy]-5-oxopentane-1-sulfonate
PubChem CID165156272
Molecular FormulaC17H13F4O7STe-
Molecular Weight564.94 g/mol
Exact Mass566.94
IUPAC Name1,1,2,2-tetrafluoro-5-[2-hydroxy-4-(4-hydroxyphenyl)tellanylphenoxy]-5-oxopentane-1-sulfonate
SMILESO=C(CCC(F)(F)C(F)(F)S(=O)(=O)[O-])Oc1ccc([Te]c2ccc(O)cc2)cc1O
InChIInChI=1S/C17H14F4O7STe/c18-16(19,17(20,21)29(25,26)27)8-7-15(24)28-14-6-5-12(9-13(14)23)30-11-3-1-10(22)2-4-11/h1-6,9,22-23H,7-8H2,(H,25,26,27)/p-1
InChIKeyOCOIMCLHENLWIO-UHFFFAOYSA-M
XLogP1.21
TPSA123.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.94
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-5-[2-hydroxy-4-(4-hydroxyphenyl)tellanylphenoxy]-5-oxopentane-1-sulfonate?
The IUPAC name of 1,1,2,2-tetrafluoro-5-[2-hydroxy-4-(4-hydroxyphenyl)tellanylphenoxy]-5-oxopentane-1-sulfonate (CID 165156272) is 1,1,2,2-tetrafluoro-5-[2-hydroxy-4-(4-hydroxyphenyl)tellanylphenoxy]-5-oxopentane-1-sulfonate.
What is the SMILES notation for 1,1,2,2-tetrafluoro-5-[2-hydroxy-4-(4-hydroxyphenyl)tellanylphenoxy]-5-oxopentane-1-sulfonate?
The canonical SMILES for 1,1,2,2-tetrafluoro-5-[2-hydroxy-4-(4-hydroxyphenyl)tellanylphenoxy]-5-oxopentane-1-sulfonate is O=C(CCC(F)(F)C(F)(F)S(=O)(=O)[O-])Oc1ccc([Te]c2ccc(O)cc2)cc1O.
What is the InChIKey of 1,1,2,2-tetrafluoro-5-[2-hydroxy-4-(4-hydroxyphenyl)tellanylphenoxy]-5-oxopentane-1-sulfonate?
The InChIKey is OCOIMCLHENLWIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14F4O7STe/c18-16(19,17(20,21)29(25,26)27)8-7-15(24)28-14-6-5-12(9-13(14)23)30-11-3-1-10(22)2-4-11/h1-6,9,22-23H,7-8H2,(H,25,26,27)/p-1.
What are the key properties of 1,1,2,2-tetrafluoro-5-[2-hydroxy-4-(4-hydroxyphenyl)tellanylphenoxy]-5-oxopentane-1-sulfonate?
1,1,2,2-tetrafluoro-5-[2-hydroxy-4-(4-hydroxyphenyl)tellanylphenoxy]-5-oxopentane-1-sulfonate has a molecular weight of 564.94 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-5-[2-hydroxy-4-(4-hydroxyphenyl)tellanylphenoxy]-5-oxopentane-1-sulfonate is sourced from PubChem (CID 165156272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).