tris(4-fluorocyclohexyl)sulfanium

C18H30F3S+ — CID 140547899

IUPACtris(4-fluorocyclohexyl)sulfanium
SMILESFC1CCC([S+](C2CCC(F)CC2)C2CCC(F)CC2)CC1
InChIInChI=1S/C18H30F3S/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h13-18H,1-12H2/q+1
InChIKeyAHCUHPZZOUGXTN-UHFFFAOYSA-N
MW335.50 g/mol
LogP5.45
Rot. Bonds3

About tris(4-fluorocyclohexyl)sulfanium

tris(4-fluorocyclohexyl)sulfanium (PubChem CID 140547899) has the molecular formula C18H30F3S+ and a molecular weight of 335.50 g/mol. Its IUPAC name is tris(4-fluorocyclohexyl)sulfanium.

Molecular Properties

Compound Nametris(4-fluorocyclohexyl)sulfanium
PubChem CID140547899
Molecular FormulaC18H30F3S+
Molecular Weight335.50 g/mol
Exact Mass335.20
IUPAC Nametris(4-fluorocyclohexyl)sulfanium
SMILESFC1CCC([S+](C2CCC(F)CC2)C2CCC(F)CC2)CC1
InChIInChI=1S/C18H30F3S/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h13-18H,1-12H2/q+1
InChIKeyAHCUHPZZOUGXTN-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(4-fluorocyclohexyl)sulfanium?
The IUPAC name of tris(4-fluorocyclohexyl)sulfanium (CID 140547899) is tris(4-fluorocyclohexyl)sulfanium.
What is the SMILES notation for tris(4-fluorocyclohexyl)sulfanium?
The canonical SMILES for tris(4-fluorocyclohexyl)sulfanium is FC1CCC([S+](C2CCC(F)CC2)C2CCC(F)CC2)CC1.
What is the InChIKey of tris(4-fluorocyclohexyl)sulfanium?
The InChIKey is AHCUHPZZOUGXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F3S/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h13-18H,1-12H2/q+1.
What are the key properties of tris(4-fluorocyclohexyl)sulfanium?
tris(4-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(4-fluorocyclohexyl)sulfanium is sourced from PubChem (CID 140547899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).