bis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate

C18H13BF6S — CID 23133077

IUPACbis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate
SMILESF[B-](F)(F)F.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H13F2S.BF4/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;2-1(3,4)5/h1-13H;/q+1;-1
InChIKeyPRMRPQGDEUDKRA-UHFFFAOYSA-N
MW386.17 g/mol
LogP6.36
Rot. Bonds3

About bis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate

bis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate (PubChem CID 23133077) has the molecular formula C18H13BF6S and a molecular weight of 386.17 g/mol. Its IUPAC name is bis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate.

Molecular Properties

Compound Namebis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate
PubChem CID23133077
Molecular FormulaC18H13BF6S
Molecular Weight386.17 g/mol
Exact Mass386.07
IUPAC Namebis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate
SMILESF[B-](F)(F)F.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H13F2S.BF4/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;2-1(3,4)5/h1-13H;/q+1;-1
InChIKeyPRMRPQGDEUDKRA-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.17
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 bis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate?
The IUPAC name of bis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate (CID 23133077) is bis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate.
What is the SMILES notation for bis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate?
The canonical SMILES for bis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate is F[B-](F)(F)F.Fc1ccc([S+](c2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of bis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate?
The InChIKey is PRMRPQGDEUDKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2S.BF4/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;2-1(3,4)5/h1-13H;/q+1;-1.
What are the key properties of bis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate?
bis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate has a molecular weight of 386.17 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-phenylsulfanium tetrafluoroborate is sourced from PubChem (CID 23133077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).