CID 164863138

C13H10F3O3SSe — CID 164863138

IUPAC—
SMILESO=S(=O)(O[Se](c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H10F3O3SSe/c14-13(15,16)20(17,18)19-21(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyDWQHLFZVIOPKTO-UHFFFAOYSA-N
MW382.24 g/mol
LogP1.66
Rot. Bonds4

About CID 164863138

CID 164863138 (PubChem CID 164863138) has the molecular formula C13H10F3O3SSe and a molecular weight of 382.24 g/mol.

Molecular Properties

Compound NameCID 164863138
PubChem CID164863138
Molecular FormulaC13H10F3O3SSe
Molecular Weight382.24 g/mol
Exact Mass382.95
IUPAC Name—
SMILESO=S(=O)(O[Se](c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H10F3O3SSe/c14-13(15,16)20(17,18)19-21(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyDWQHLFZVIOPKTO-UHFFFAOYSA-N
XLogP1.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 164863138?
The IUPAC name of CID 164863138 (CID 164863138) is not available.
What is the SMILES notation for CID 164863138?
The canonical SMILES for CID 164863138 is O=S(=O)(O[Se](c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of CID 164863138?
The InChIKey is DWQHLFZVIOPKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3O3SSe/c14-13(15,16)20(17,18)19-21(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of CID 164863138?
CID 164863138 has a molecular weight of 382.24 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164863138 is sourced from PubChem (CID 164863138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).