(4-chlorophenyl)-(4-methoxyphenyl)-(trifluoromethyl)sulfanium;hexafluoroantimony(1-)

C14H11ClF9OSSb — CID 16697961

IUPAC(4-chlorophenyl)-(4-methoxyphenyl)-(trifluoromethyl)sulfanium;hexafluoroantimony(1-)
SMILESCOc1ccc([S+](c2ccc(Cl)cc2)C(F)(F)F)cc1.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C14H11ClF3OS.6FH.Sb/c1-19-11-4-8-13(9-5-11)20(14(16,17)18)12-6-2-10(15)3-7-12;;;;;;;/h2-9H,1H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyMPLOLHZAEXFBSW-UHFFFAOYSA-H
MW555.50 g/mol
LogP7.05
Rot. Bonds3

About (4-chlorophenyl)-(4-methoxyphenyl)-(trifluoromethyl)sulfanium;hexafluoroantimony(1-)

(4-chlorophenyl)-(4-methoxyphenyl)-(trifluoromethyl)sulfanium;hexafluoroantimony(1-) (PubChem CID 16697961) has the molecular formula C14H11ClF9OSSb and a molecular weight of 555.50 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-methoxyphenyl)-(trifluoromethyl)sulfanium;hexafluoroantimony(1-).

Molecular Properties

Compound Name(4-chlorophenyl)-(4-methoxyphenyl)-(trifluoromethyl)sulfanium;hexafluoroantimony(1-)
PubChem CID16697961
Molecular FormulaC14H11ClF9OSSb
Molecular Weight555.50 g/mol
Exact Mass553.91
IUPAC Name(4-chlorophenyl)-(4-methoxyphenyl)-(trifluoromethyl)sulfanium;hexafluoroantimony(1-)
SMILESCOc1ccc([S+](c2ccc(Cl)cc2)C(F)(F)F)cc1.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C14H11ClF3OS.6FH.Sb/c1-19-11-4-8-13(9-5-11)20(14(16,17)18)12-6-2-10(15)3-7-12;;;;;;;/h2-9H,1H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyMPLOLHZAEXFBSW-UHFFFAOYSA-H
XLogP7.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.50
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-methoxyphenyl)-(trifluoromethyl)sulfanium;hexafluoroantimony(1-)?
The IUPAC name of (4-chlorophenyl)-(4-methoxyphenyl)-(trifluoromethyl)sulfanium;hexafluoroantimony(1-) (CID 16697961) is (4-chlorophenyl)-(4-methoxyphenyl)-(trifluoromethyl)sulfanium;hexafluoroantimony(1-).
What is the SMILES notation for (4-chlorophenyl)-(4-methoxyphenyl)-(trifluoromethyl)sulfanium;hexafluoroantimony(1-)?
The canonical SMILES for (4-chlorophenyl)-(4-methoxyphenyl)-(trifluoromethyl)sulfanium;hexafluoroantimony(1-) is COc1ccc([S+](c2ccc(Cl)cc2)C(F)(F)F)cc1.F[Sb-](F)(F)(F)(F)F.
What is the InChIKey of (4-chlorophenyl)-(4-methoxyphenyl)-(trifluoromethyl)sulfanium;hexafluoroantimony(1-)?
The InChIKey is MPLOLHZAEXFBSW-UHFFFAOYSA-H. The full InChI is InChI=1S/C14H11ClF3OS.6FH.Sb/c1-19-11-4-8-13(9-5-11)20(14(16,17)18)12-6-2-10(15)3-7-12;;;;;;;/h2-9H,1H3;6*1H;/q+1;;;;;;;+5/p-6.
What are the key properties of (4-chlorophenyl)-(4-methoxyphenyl)-(trifluoromethyl)sulfanium;hexafluoroantimony(1-)?
(4-chlorophenyl)-(4-methoxyphenyl)-(trifluoromethyl)sulfanium;hexafluoroantimony(1-) has a molecular weight of 555.50 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-methoxyphenyl)-(trifluoromethyl)sulfanium;hexafluoroantimony(1-) is sourced from PubChem (CID 16697961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).