oxo-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]sulfanium

C8H4F5OS+ — CID 162540630

IUPACoxo-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]sulfanium
SMILESO=[S+]c1ccccc1C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F5OS/c9-7(10,8(11,12)13)5-3-1-2-4-6(5)15-14/h1-4H/q+1
InChIKeyWSJMCXASHIDFEJ-UHFFFAOYSA-N
MW243.18 g/mol
LogP3.13
Rot. Bonds2

About oxo-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]sulfanium

oxo-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]sulfanium (PubChem CID 162540630) has the molecular formula C8H4F5OS+ and a molecular weight of 243.18 g/mol. Its IUPAC name is oxo-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]sulfanium.

Molecular Properties

Compound Nameoxo-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]sulfanium
PubChem CID162540630
Molecular FormulaC8H4F5OS+
Molecular Weight243.18 g/mol
Exact Mass242.99
IUPAC Nameoxo-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]sulfanium
SMILESO=[S+]c1ccccc1C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F5OS/c9-7(10,8(11,12)13)5-3-1-2-4-6(5)15-14/h1-4H/q+1
InChIKeyWSJMCXASHIDFEJ-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]sulfanium?
The IUPAC name of oxo-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]sulfanium (CID 162540630) is oxo-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]sulfanium.
What is the SMILES notation for oxo-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]sulfanium?
The canonical SMILES for oxo-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]sulfanium is O=[S+]c1ccccc1C(F)(F)C(F)(F)F.
What is the InChIKey of oxo-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]sulfanium?
The InChIKey is WSJMCXASHIDFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5OS/c9-7(10,8(11,12)13)5-3-1-2-4-6(5)15-14/h1-4H/q+1.
What are the key properties of oxo-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]sulfanium?
oxo-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]sulfanium has a molecular weight of 243.18 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]sulfanium is sourced from PubChem (CID 162540630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).