fluoroform;trioctylsulfanium

C25H52F3S+ — CID 162048426

IUPACfluoroform;trioctylsulfanium
SMILESCCCCCCCC[S+](CCCCCCCC)CCCCCCCC.FC(F)F
InChIInChI=1S/C24H51S.CHF3/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;2-1(3)4/h4-24H2,1-3H3;1H/q+1;
InChIKeyYYFLOFAKLLKEBO-UHFFFAOYSA-N
MW441.75 g/mol
LogP9.86
Rot. Bonds21

About fluoroform;trioctylsulfanium

fluoroform;trioctylsulfanium (PubChem CID 162048426) has the molecular formula C25H52F3S+ and a molecular weight of 441.75 g/mol. Its IUPAC name is fluoroform;trioctylsulfanium.

Molecular Properties

Compound Namefluoroform;trioctylsulfanium
PubChem CID162048426
Molecular FormulaC25H52F3S+
Molecular Weight441.75 g/mol
Exact Mass441.37
IUPAC Namefluoroform;trioctylsulfanium
SMILESCCCCCCCC[S+](CCCCCCCC)CCCCCCCC.FC(F)F
InChIInChI=1S/C24H51S.CHF3/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;2-1(3)4/h4-24H2,1-3H3;1H/q+1;
InChIKeyYYFLOFAKLLKEBO-UHFFFAOYSA-N
XLogP9.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.75
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trioctylsulfanium
CID 21452185
hexyl(dipentyl)sulfanium
CID 141102633
2-dioctylsulfonioacetate
CID 140922654
methyl-octadecyl-octylsulfanium
CID 88709948
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of fluoroform;trioctylsulfanium?
The IUPAC name of fluoroform;trioctylsulfanium (CID 162048426) is fluoroform;trioctylsulfanium.
What is the SMILES notation for fluoroform;trioctylsulfanium?
The canonical SMILES for fluoroform;trioctylsulfanium is CCCCCCCC[S+](CCCCCCCC)CCCCCCCC.FC(F)F.
What is the InChIKey of fluoroform;trioctylsulfanium?
The InChIKey is YYFLOFAKLLKEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51S.CHF3/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;2-1(3)4/h4-24H2,1-3H3;1H/q+1;.
What are the key properties of fluoroform;trioctylsulfanium?
fluoroform;trioctylsulfanium has a molecular weight of 441.75 g/mol, XLogP of 9.86, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroform;trioctylsulfanium is sourced from PubChem (CID 162048426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).