(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate

C22H20F4O3S2 — CID 140546479

IUPAC(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate
SMILESO=S(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)CCO
InChIInChI=1S/C22H20F4O3S2/c23-21(24,16-17-27)22(25,26)30(28)29-31(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,27H,16-17H2
InChIKeyYJJWMBLNQPAUAL-UHFFFAOYSA-N
MW472.53 g/mol
LogP6.17
Rot. Bonds9

About (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate

(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate (PubChem CID 140546479) has the molecular formula C22H20F4O3S2 and a molecular weight of 472.53 g/mol. Its IUPAC name is (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate.

Molecular Properties

Compound Name(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate
PubChem CID140546479
Molecular FormulaC22H20F4O3S2
Molecular Weight472.53 g/mol
Exact Mass472.08
IUPAC Name(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate
SMILESO=S(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)CCO
InChIInChI=1S/C22H20F4O3S2/c23-21(24,16-17-27)22(25,26)30(28)29-31(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,27H,16-17H2
InChIKeyYJJWMBLNQPAUAL-UHFFFAOYSA-N
XLogP6.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.53
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate with MolForge

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Launch Full Analysis

Related Compounds

Triphenylsulfonium nonafluorobutanesulfonate
CID 16216936
Trifluoromethanesulfonic acid;triphenylsulfanium
CID 6455229
Triphenylsulfanium tridecafluorohexane-1-sulfonate
CID 87123851
Triphenylsulfonium perfluorobutanesulfonate
CID 2782440
Triphenylsulfonium perfluorooctylsulfonate
CID 12067461
(Triphenyl-lambda4-sulfanyl) trifluoromethanesulfonate
CID 12932027
[(4-Fluorophenyl)-diphenyl-lambda4-sulfanyl] trifluoromethanesulfonate
CID 2782333
(Triphenyl-lambda4-sulfanyl) 1,1,2,2,2-pentafluoroethanesulfonate
CID 2782441
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

Frequently Asked Questions

What is the IUPAC name of (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate?
The IUPAC name of (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate (CID 140546479) is (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate.
What is the SMILES notation for (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate?
The canonical SMILES for (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate is O=S(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)CCO.
What is the InChIKey of (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate?
The InChIKey is YJJWMBLNQPAUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4O3S2/c23-21(24,16-17-27)22(25,26)30(28)29-31(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,27H,16-17H2.
What are the key properties of (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate?
(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate has a molecular weight of 472.53 g/mol, XLogP of 6.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate is sourced from PubChem (CID 140546479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).