(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonate

C24H24F4O4S2 — CID 87290003

IUPAC(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonate
SMILESO=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)CCCCO
InChIInChI=1S/C24H24F4O4S2/c25-23(26,18-10-11-19-29)24(27,28)34(30,31)32-33(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,29H,10-11,18-19H2
InChIKeyCYTXFNBPIZRDGF-UHFFFAOYSA-N
MW516.58 g/mol
LogP6.62
Rot. Bonds11

About (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonate

(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonate (PubChem CID 87290003) has the molecular formula C24H24F4O4S2 and a molecular weight of 516.58 g/mol. Its IUPAC name is (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonate.

Molecular Properties

Compound Name(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonate
PubChem CID87290003
Molecular FormulaC24H24F4O4S2
Molecular Weight516.58 g/mol
Exact Mass516.11
IUPAC Name(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonate
SMILESO=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)CCCCO
InChIInChI=1S/C24H24F4O4S2/c25-23(26,18-10-11-19-29)24(27,28)34(30,31)32-33(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,29H,10-11,18-19H2
InChIKeyCYTXFNBPIZRDGF-UHFFFAOYSA-N
XLogP6.62
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.58
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonate?
The IUPAC name of (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonate (CID 87290003) is (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonate.
What is the SMILES notation for (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonate?
The canonical SMILES for (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonate is O=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)CCCCO.
What is the InChIKey of (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonate?
The InChIKey is CYTXFNBPIZRDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4O4S2/c25-23(26,18-10-11-19-29)24(27,28)34(30,31)32-33(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,29H,10-11,18-19H2.
What are the key properties of (triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonate?
(triphenyl-λ4-sulfanyl) 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonate has a molecular weight of 516.58 g/mol, XLogP of 6.62, 11 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-6-hydroxyhexane-1-sulfonate is sourced from PubChem (CID 87290003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).