trifluoromethylsulfonylselanylbenzene

C7H5F3O2SSe — CID 10708541

IUPACtrifluoromethylsulfonylselanylbenzene
SMILESO=S(=O)([Se]c1ccccc1)C(F)(F)F
InChIInChI=1S/C7H5F3O2SSe/c8-7(9,10)13(11,12)14-6-4-2-1-3-5-6/h1-5H
InChIKeyZGRWIQBOLBOEIQ-UHFFFAOYSA-N
MW289.14 g/mol
LogP0.87
Rot. Bonds2

About trifluoromethylsulfonylselanylbenzene

trifluoromethylsulfonylselanylbenzene (PubChem CID 10708541) has the molecular formula C7H5F3O2SSe and a molecular weight of 289.14 g/mol. Its IUPAC name is trifluoromethylsulfonylselanylbenzene.

Molecular Properties

Compound Nametrifluoromethylsulfonylselanylbenzene
PubChem CID10708541
Molecular FormulaC7H5F3O2SSe
Molecular Weight289.14 g/mol
Exact Mass289.91
IUPAC Nametrifluoromethylsulfonylselanylbenzene
SMILESO=S(=O)([Se]c1ccccc1)C(F)(F)F
InChIInChI=1S/C7H5F3O2SSe/c8-7(9,10)13(11,12)14-6-4-2-1-3-5-6/h1-5H
InChIKeyZGRWIQBOLBOEIQ-UHFFFAOYSA-N
XLogP0.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoromethylsulfonylselanylbenzene?
The IUPAC name of trifluoromethylsulfonylselanylbenzene (CID 10708541) is trifluoromethylsulfonylselanylbenzene.
What is the SMILES notation for trifluoromethylsulfonylselanylbenzene?
The canonical SMILES for trifluoromethylsulfonylselanylbenzene is O=S(=O)([Se]c1ccccc1)C(F)(F)F.
What is the InChIKey of trifluoromethylsulfonylselanylbenzene?
The InChIKey is ZGRWIQBOLBOEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O2SSe/c8-7(9,10)13(11,12)14-6-4-2-1-3-5-6/h1-5H.
What are the key properties of trifluoromethylsulfonylselanylbenzene?
trifluoromethylsulfonylselanylbenzene has a molecular weight of 289.14 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylsulfonylselanylbenzene is sourced from PubChem (CID 10708541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).