CID 21062475

C18H13F10Te — CID 21062475

IUPAC—
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[Te](c1ccccc1)c1ccccc1
InChIInChI=1S/C18H13F10Te/c19-14(20)16(23,24)18(27,28)17(25,26)15(21,22)11-29(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyCRLHTKVZIZKADJ-UHFFFAOYSA-N
MW546.88 g/mol
LogP5.10
Rot. Bonds8

About CID 21062475

CID 21062475 (PubChem CID 21062475) has the molecular formula C18H13F10Te and a molecular weight of 546.88 g/mol.

Molecular Properties

Compound NameCID 21062475
PubChem CID21062475
Molecular FormulaC18H13F10Te
Molecular Weight546.88 g/mol
Exact Mass548.99
IUPAC Name—
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[Te](c1ccccc1)c1ccccc1
InChIInChI=1S/C18H13F10Te/c19-14(20)16(23,24)18(27,28)17(25,26)15(21,22)11-29(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyCRLHTKVZIZKADJ-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.88
LogP ≤ 55.10
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 CID 21062475?
The IUPAC name of CID 21062475 (CID 21062475) is not available.
What is the SMILES notation for CID 21062475?
The canonical SMILES for CID 21062475 is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[Te](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 21062475?
The InChIKey is CRLHTKVZIZKADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F10Te/c19-14(20)16(23,24)18(27,28)17(25,26)15(21,22)11-29(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2.
What are the key properties of CID 21062475?
CID 21062475 has a molecular weight of 546.88 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21062475 is sourced from PubChem (CID 21062475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).