[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-enyl]tellanylbenzene

C20H11F13Te — CID 102312188

IUPAC[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-enyl]tellanylbenzene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C=C(/[Te]c1ccccc1)c1ccccc1
InChIInChI=1S/C20H11F13Te/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)11-14(12-7-3-1-4-8-12)34-13-9-5-2-6-10-13/h1-11H/b14-11+
InChIKeyAIOPFMXREXMPDD-SDNWHVSQSA-N
MW625.88 g/mol
LogP6.80
Rot. Bonds8

About [(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-enyl]tellanylbenzene

[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-enyl]tellanylbenzene (PubChem CID 102312188) has the molecular formula C20H11F13Te and a molecular weight of 625.88 g/mol. Its IUPAC name is [(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-enyl]tellanylbenzene.

Molecular Properties

Compound Name[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-enyl]tellanylbenzene
PubChem CID102312188
Molecular FormulaC20H11F13Te
Molecular Weight625.88 g/mol
Exact Mass627.97
IUPAC Name[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-enyl]tellanylbenzene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C=C(/[Te]c1ccccc1)c1ccccc1
InChIInChI=1S/C20H11F13Te/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)11-14(12-7-3-1-4-8-12)34-13-9-5-2-6-10-13/h1-11H/b14-11+
InChIKeyAIOPFMXREXMPDD-SDNWHVSQSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.88
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-enyl]tellanylbenzene?
The IUPAC name of [(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-enyl]tellanylbenzene (CID 102312188) is [(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-enyl]tellanylbenzene.
What is the SMILES notation for [(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-enyl]tellanylbenzene?
The canonical SMILES for [(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-enyl]tellanylbenzene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C=C(/[Te]c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-enyl]tellanylbenzene?
The InChIKey is AIOPFMXREXMPDD-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H11F13Te/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)11-14(12-7-3-1-4-8-12)34-13-9-5-2-6-10-13/h1-11H/b14-11+.
What are the key properties of [(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-enyl]tellanylbenzene?
[(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-enyl]tellanylbenzene has a molecular weight of 625.88 g/mol, XLogP of 6.80, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenyloct-1-enyl]tellanylbenzene is sourced from PubChem (CID 102312188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).