trifluoromethanesulfonate;triphenyl(trifluoromethylsulfonyloxy)arsanium

C20H15AsF6O6S2 — CID 162786650

IUPACtrifluoromethanesulfonate;triphenyl(trifluoromethylsulfonyloxy)arsanium
SMILESO=S(=O)(O[As+](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C19H15AsF3O3S.CHF3O3S/c21-19(22,23)27(24,25)26-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)8(5,6)7/h1-15H;(H,5,6,7)/q+1;/p-1
InChIKeyAVQZPAUNEYMDQT-UHFFFAOYSA-M
MW604.38 g/mol
LogP2.57
Rot. Bonds5

About trifluoromethanesulfonate;triphenyl(trifluoromethylsulfonyloxy)arsanium

trifluoromethanesulfonate;triphenyl(trifluoromethylsulfonyloxy)arsanium (PubChem CID 162786650) has the molecular formula C20H15AsF6O6S2 and a molecular weight of 604.38 g/mol. Its IUPAC name is trifluoromethanesulfonate;triphenyl(trifluoromethylsulfonyloxy)arsanium.

Molecular Properties

Compound Nametrifluoromethanesulfonate;triphenyl(trifluoromethylsulfonyloxy)arsanium
PubChem CID162786650
Molecular FormulaC20H15AsF6O6S2
Molecular Weight604.38 g/mol
Exact Mass603.94
IUPAC Nametrifluoromethanesulfonate;triphenyl(trifluoromethylsulfonyloxy)arsanium
SMILESO=S(=O)(O[As+](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C19H15AsF3O3S.CHF3O3S/c21-19(22,23)27(24,25)26-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)8(5,6)7/h1-15H;(H,5,6,7)/q+1;/p-1
InChIKeyAVQZPAUNEYMDQT-UHFFFAOYSA-M
XLogP2.57
TPSA100.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

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CID 18458510
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anisole;azane;osmium(2+);bis(trifluoromethanesulfonate)
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diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;trifluoromethanesulfonate
CID 18759328
methane;(4-methoxyphenyl)-diphenylsulfanium;trifluoromethanesulfonate;bis(triphenylsulfanium)
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(2-fluorophenyl)-diphenylsulfanium;trifluoromethanesulfonate
CID 87583026
bis((4-methylsulfonylphenyl)-diphenylsulfanium);bis(trifluoromethanesulfonate)
CID 158271504
copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
CID 139200433
diethyl(phenyl)azanium;trifluoromethanesulfonate
CID 158269719
CID 158705201
CID 158705201
ditert-butyl(phenyl)-λ3-iodane;trifluoromethanesulfonate
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Frequently Asked Questions

What is the IUPAC name of trifluoromethanesulfonate;triphenyl(trifluoromethylsulfonyloxy)arsanium?
The IUPAC name of trifluoromethanesulfonate;triphenyl(trifluoromethylsulfonyloxy)arsanium (CID 162786650) is trifluoromethanesulfonate;triphenyl(trifluoromethylsulfonyloxy)arsanium.
What is the SMILES notation for trifluoromethanesulfonate;triphenyl(trifluoromethylsulfonyloxy)arsanium?
The canonical SMILES for trifluoromethanesulfonate;triphenyl(trifluoromethylsulfonyloxy)arsanium is O=S(=O)(O[As+](c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of trifluoromethanesulfonate;triphenyl(trifluoromethylsulfonyloxy)arsanium?
The InChIKey is AVQZPAUNEYMDQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15AsF3O3S.CHF3O3S/c21-19(22,23)27(24,25)26-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)8(5,6)7/h1-15H;(H,5,6,7)/q+1;/p-1.
What are the key properties of trifluoromethanesulfonate;triphenyl(trifluoromethylsulfonyloxy)arsanium?
trifluoromethanesulfonate;triphenyl(trifluoromethylsulfonyloxy)arsanium has a molecular weight of 604.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethanesulfonate;triphenyl(trifluoromethylsulfonyloxy)arsanium is sourced from PubChem (CID 162786650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).