(triphenyl-λ4-sulfanyl) 1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate

C22H16F8O4S2 — CID 87382170

IUPAC(triphenyl-λ4-sulfanyl) 1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
SMILESO=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C22H16F8O4S2/c23-19(33-22(29,30)21(26,27)28)20(24,25)36(31,32)34-35(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H
InChIKeyNQKCHNZUIJGUTP-UHFFFAOYSA-N
MW560.48 g/mol
LogP7.29
Rot. Bonds9

About (triphenyl-λ4-sulfanyl) 1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate

(triphenyl-λ4-sulfanyl) 1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate (PubChem CID 87382170) has the molecular formula C22H16F8O4S2 and a molecular weight of 560.48 g/mol. Its IUPAC name is (triphenyl-λ4-sulfanyl) 1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate.

Molecular Properties

Compound Name(triphenyl-λ4-sulfanyl) 1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
PubChem CID87382170
Molecular FormulaC22H16F8O4S2
Molecular Weight560.48 g/mol
Exact Mass560.04
IUPAC Name(triphenyl-λ4-sulfanyl) 1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
SMILESO=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C22H16F8O4S2/c23-19(33-22(29,30)21(26,27)28)20(24,25)36(31,32)34-35(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H
InChIKeyNQKCHNZUIJGUTP-UHFFFAOYSA-N
XLogP7.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.48
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (triphenyl-λ4-sulfanyl) 1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
The IUPAC name of (triphenyl-λ4-sulfanyl) 1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate (CID 87382170) is (triphenyl-λ4-sulfanyl) 1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate.
What is the SMILES notation for (triphenyl-λ4-sulfanyl) 1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
The canonical SMILES for (triphenyl-λ4-sulfanyl) 1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate is O=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of (triphenyl-λ4-sulfanyl) 1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
The InChIKey is NQKCHNZUIJGUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F8O4S2/c23-19(33-22(29,30)21(26,27)28)20(24,25)36(31,32)34-35(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H.
What are the key properties of (triphenyl-λ4-sulfanyl) 1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
(triphenyl-λ4-sulfanyl) 1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate has a molecular weight of 560.48 g/mol, XLogP of 7.29, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (triphenyl-λ4-sulfanyl) 1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate is sourced from PubChem (CID 87382170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).