trifluoro-oxo-phenoxy-λ6-sulfane

C6H5F3O2S — CID 23237407

IUPACtrifluoro-oxo-phenoxy-λ6-sulfane
SMILESO=S(F)(F)(F)Oc1ccccc1
InChIInChI=1S/C6H5F3O2S/c7-12(8,9,10)11-6-4-2-1-3-5-6/h1-5H
InChIKeyHRWQZIKNBZEGNA-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.45
Rot. Bonds2

About trifluoro-oxo-phenoxy-λ6-sulfane

trifluoro-oxo-phenoxy-λ6-sulfane (PubChem CID 23237407) has the molecular formula C6H5F3O2S and a molecular weight of 198.17 g/mol. Its IUPAC name is trifluoro-oxo-phenoxy-λ6-sulfane.

Molecular Properties

Compound Nametrifluoro-oxo-phenoxy-λ6-sulfane
PubChem CID23237407
Molecular FormulaC6H5F3O2S
Molecular Weight198.17 g/mol
Exact Mass198.00
IUPAC Nametrifluoro-oxo-phenoxy-λ6-sulfane
SMILESO=S(F)(F)(F)Oc1ccccc1
InChIInChI=1S/C6H5F3O2S/c7-12(8,9,10)11-6-4-2-1-3-5-6/h1-5H
InChIKeyHRWQZIKNBZEGNA-UHFFFAOYSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trifluoro-oxo-phenoxy-λ6-sulfane?
The IUPAC name of trifluoro-oxo-phenoxy-λ6-sulfane (CID 23237407) is trifluoro-oxo-phenoxy-λ6-sulfane.
What is the SMILES notation for trifluoro-oxo-phenoxy-λ6-sulfane?
The canonical SMILES for trifluoro-oxo-phenoxy-λ6-sulfane is O=S(F)(F)(F)Oc1ccccc1.
What is the InChIKey of trifluoro-oxo-phenoxy-λ6-sulfane?
The InChIKey is HRWQZIKNBZEGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3O2S/c7-12(8,9,10)11-6-4-2-1-3-5-6/h1-5H.
What are the key properties of trifluoro-oxo-phenoxy-λ6-sulfane?
trifluoro-oxo-phenoxy-λ6-sulfane has a molecular weight of 198.17 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-oxo-phenoxy-λ6-sulfane is sourced from PubChem (CID 23237407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).