tris(2-fluorophenyl)sulfanium

C18H12F3S+ — CID 58332382

IUPACtris(2-fluorophenyl)sulfanium
SMILESFc1ccccc1[S+](c1ccccc1F)c1ccccc1F
InChIInChI=1S/C18H12F3S/c19-13-7-1-4-10-16(13)22(17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h1-12H/q+1
InChIKeyNFEAPFABNXPJMP-UHFFFAOYSA-N
MW317.36 g/mol
LogP5.20
Rot. Bonds3

About tris(2-fluorophenyl)sulfanium

tris(2-fluorophenyl)sulfanium (PubChem CID 58332382) has the molecular formula C18H12F3S+ and a molecular weight of 317.36 g/mol. Its IUPAC name is tris(2-fluorophenyl)sulfanium.

Molecular Properties

Compound Nametris(2-fluorophenyl)sulfanium
PubChem CID58332382
Molecular FormulaC18H12F3S+
Molecular Weight317.36 g/mol
Exact Mass317.06
IUPAC Nametris(2-fluorophenyl)sulfanium
SMILESFc1ccccc1[S+](c1ccccc1F)c1ccccc1F
InChIInChI=1S/C18H12F3S/c19-13-7-1-4-10-16(13)22(17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h1-12H/q+1
InChIKeyNFEAPFABNXPJMP-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.36
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2-fluorophenyl)sulfanium?
The IUPAC name of tris(2-fluorophenyl)sulfanium (CID 58332382) is tris(2-fluorophenyl)sulfanium.
What is the SMILES notation for tris(2-fluorophenyl)sulfanium?
The canonical SMILES for tris(2-fluorophenyl)sulfanium is Fc1ccccc1[S+](c1ccccc1F)c1ccccc1F.
What is the InChIKey of tris(2-fluorophenyl)sulfanium?
The InChIKey is NFEAPFABNXPJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3S/c19-13-7-1-4-10-16(13)22(17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h1-12H/q+1.
What are the key properties of tris(2-fluorophenyl)sulfanium?
tris(2-fluorophenyl)sulfanium has a molecular weight of 317.36 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-fluorophenyl)sulfanium is sourced from PubChem (CID 58332382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).