(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate

C23H22F4O4S2 — CID 87256508

IUPAC(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate
SMILESO=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)CCCO
InChIInChI=1S/C23H22F4O4S2/c24-22(25,17-10-18-28)23(26,27)33(29,30)31-32(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,28H,10,17-18H2
InChIKeyPCHQVFVLHASUDA-UHFFFAOYSA-N
MW502.55 g/mol
LogP6.23
Rot. Bonds10

About (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate

(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate (PubChem CID 87256508) has the molecular formula C23H22F4O4S2 and a molecular weight of 502.55 g/mol. Its IUPAC name is (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate.

Molecular Properties

Compound Name(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate
PubChem CID87256508
Molecular FormulaC23H22F4O4S2
Molecular Weight502.55 g/mol
Exact Mass502.09
IUPAC Name(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate
SMILESO=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)CCCO
InChIInChI=1S/C23H22F4O4S2/c24-22(25,17-10-18-28)23(26,27)33(29,30)31-32(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,28H,10,17-18H2
InChIKeyPCHQVFVLHASUDA-UHFFFAOYSA-N
XLogP6.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.55
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate with MolForge

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Related Compounds

Triphenylsulfonium nonafluorobutanesulfonate
CID 16216936
Triphenylsulfanium tridecafluorohexane-1-sulfonate
CID 87123851
Triphenylsulfonium perfluorobutanesulfonate
CID 2782440
4-Fluoro-4,4-bis(phenylsulfonyl)-2-butanol
CID 16083399
(Triphenyl-lambda4-sulfanyl) 1,1,2,2,2-pentafluoroethanesulfonate
CID 2782441
1,1-Bis(benzenesulfonyl)-1-fluoroheptan-3-ol
CID 16081815
Triphenylsulfanium;1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
CID 21881070
1,1,2,2,3,3-Hexafluoropropane-1-sulfonate;triphenylsulfanium
CID 21910290
1,1,2,2,3,3-Hexafluoropropane-1-sulfonic acid;triphenylsulfanium
CID 22373929
1,1,2,3,3,3-Hexafluoropropane-1-sulfonate;triphenylsulfanium
CID 22625513
1,1,2,2,3,3,3-Heptafluoropropane-1-sulfonate;triphenylsulfanium
CID 23088901
Trifluoromethylsulfonyl-(triphenyl-lambda4-sulfanyl)oxidanium
CID 56991735

Frequently Asked Questions

What is the IUPAC name of (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate?
The IUPAC name of (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate (CID 87256508) is (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate.
What is the SMILES notation for (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate?
The canonical SMILES for (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate is O=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)CCCO.
What is the InChIKey of (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate?
The InChIKey is PCHQVFVLHASUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4O4S2/c24-22(25,17-10-18-28)23(26,27)33(29,30)31-32(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,28H,10,17-18H2.
What are the key properties of (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate?
(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate has a molecular weight of 502.55 g/mol, XLogP of 6.23, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate is sourced from PubChem (CID 87256508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).