tris(3-fluorocyclohexyl)sulfanium

C18H30F3S+ — CID 140547909

IUPACtris(3-fluorocyclohexyl)sulfanium
SMILESFC1CCCC([S+](C2CCCC(F)C2)C2CCCC(F)C2)C1
InChIInChI=1S/C18H30F3S/c19-13-4-1-7-16(10-13)22(17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h13-18H,1-12H2/q+1
InChIKeyILURFPSSXBGDPL-UHFFFAOYSA-N
MW335.50 g/mol
LogP5.45
Rot. Bonds3

About tris(3-fluorocyclohexyl)sulfanium

tris(3-fluorocyclohexyl)sulfanium (PubChem CID 140547909) has the molecular formula C18H30F3S+ and a molecular weight of 335.50 g/mol. Its IUPAC name is tris(3-fluorocyclohexyl)sulfanium.

Molecular Properties

Compound Nametris(3-fluorocyclohexyl)sulfanium
PubChem CID140547909
Molecular FormulaC18H30F3S+
Molecular Weight335.50 g/mol
Exact Mass335.20
IUPAC Nametris(3-fluorocyclohexyl)sulfanium
SMILESFC1CCCC([S+](C2CCCC(F)C2)C2CCCC(F)C2)C1
InChIInChI=1S/C18H30F3S/c19-13-4-1-7-16(10-13)22(17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h13-18H,1-12H2/q+1
InChIKeyILURFPSSXBGDPL-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.50
LogP ≤ 55.45
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(3-fluorocyclohexyl)sulfanium?
The IUPAC name of tris(3-fluorocyclohexyl)sulfanium (CID 140547909) is tris(3-fluorocyclohexyl)sulfanium.
What is the SMILES notation for tris(3-fluorocyclohexyl)sulfanium?
The canonical SMILES for tris(3-fluorocyclohexyl)sulfanium is FC1CCCC([S+](C2CCCC(F)C2)C2CCCC(F)C2)C1.
What is the InChIKey of tris(3-fluorocyclohexyl)sulfanium?
The InChIKey is ILURFPSSXBGDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F3S/c19-13-4-1-7-16(10-13)22(17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h13-18H,1-12H2/q+1.
What are the key properties of tris(3-fluorocyclohexyl)sulfanium?
tris(3-fluorocyclohexyl)sulfanium has a molecular weight of 335.50 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-fluorocyclohexyl)sulfanium is sourced from PubChem (CID 140547909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).