oxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane

C7H5F3O2SSe — CID 172859449

IUPACoxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane
SMILESO=S(=[Se])(Oc1ccccc1)C(F)(F)F
InChIInChI=1S/C7H5F3O2SSe/c8-7(9,10)13(11,14)12-6-4-2-1-3-5-6/h1-5H
InChIKeyZDRKAKXZXMHVGA-UHFFFAOYSA-N
MW289.14 g/mol
LogP1.87
Rot. Bonds2

About oxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane

oxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane (PubChem CID 172859449) has the molecular formula C7H5F3O2SSe and a molecular weight of 289.14 g/mol. Its IUPAC name is oxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane.

Molecular Properties

Compound Nameoxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane
PubChem CID172859449
Molecular FormulaC7H5F3O2SSe
Molecular Weight289.14 g/mol
Exact Mass289.91
IUPAC Nameoxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane
SMILESO=S(=[Se])(Oc1ccccc1)C(F)(F)F
InChIInChI=1S/C7H5F3O2SSe/c8-7(9,10)13(11,14)12-6-4-2-1-3-5-6/h1-5H
InChIKeyZDRKAKXZXMHVGA-UHFFFAOYSA-N
XLogP1.87
TPSA26.30 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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diphenylsulfanium;[4-(trifluoromethyl)phenyl] trifluoromethanesulfonate
CID 159945623
[4-(phenylmethoxymethyl)phenyl] trifluoromethanesulfonate
CID 122380140
1-fluoroethenyl phenyl sulfate
CID 87154768
[phenoxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate
CID 16689064
[triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate
CID 12027763
3,5-diethyl-4,4-difluoro-5-phenoxysulfonylheptane-3-sulfonic acid
CID 134460934
sodium phenyl sulfate
CID 23678346
diphenyl ethane-1,2-disulfonate
CID 4219954
phenyl 1-oxoethanesulfonate
CID 18999205
(4-chlorophenyl) trifluoromethanesulfonate
CID 581424
iodobenzene;(4-methoxyphenyl) trifluoromethanesulfonate
CID 87453679
[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl] trifluoromethanesulfonate
CID 90112227

Frequently Asked Questions

What is the IUPAC name of oxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane?
The IUPAC name of oxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane (CID 172859449) is oxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane.
What is the SMILES notation for oxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane?
The canonical SMILES for oxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane is O=S(=[Se])(Oc1ccccc1)C(F)(F)F.
What is the InChIKey of oxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane?
The InChIKey is ZDRKAKXZXMHVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O2SSe/c8-7(9,10)13(11,14)12-6-4-2-1-3-5-6/h1-5H.
What are the key properties of oxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane?
oxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane has a molecular weight of 289.14 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane is sourced from PubChem (CID 172859449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).