dicyclopentyl(trifluoromethylsulfonyl)sulfanium

C11H18F3O2S2+ — CID 10671337

IUPACdicyclopentyl(trifluoromethylsulfonyl)sulfanium
SMILESO=S(=O)([S+](C1CCCC1)C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H18F3O2S2/c12-11(13,14)18(15,16)17(9-5-1-2-6-9)10-7-3-4-8-10/h9-10H,1-8H2/q+1
InChIKeyXJUSNDYGINMCAF-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.34
Rot. Bonds3

About dicyclopentyl(trifluoromethylsulfonyl)sulfanium

dicyclopentyl(trifluoromethylsulfonyl)sulfanium (PubChem CID 10671337) has the molecular formula C11H18F3O2S2+ and a molecular weight of 303.39 g/mol. Its IUPAC name is dicyclopentyl(trifluoromethylsulfonyl)sulfanium.

Molecular Properties

Compound Namedicyclopentyl(trifluoromethylsulfonyl)sulfanium
PubChem CID10671337
Molecular FormulaC11H18F3O2S2+
Molecular Weight303.39 g/mol
Exact Mass303.07
IUPAC Namedicyclopentyl(trifluoromethylsulfonyl)sulfanium
SMILESO=S(=O)([S+](C1CCCC1)C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H18F3O2S2/c12-11(13,14)18(15,16)17(9-5-1-2-6-9)10-7-3-4-8-10/h9-10H,1-8H2/q+1
InChIKeyXJUSNDYGINMCAF-UHFFFAOYSA-N
XLogP3.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Tricyclopentyl-lambda4-sulfanyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 140004102
(Tricyclopentyl-lambda4-sulfanyl) trifluoromethanesulfonate
CID 140004170
Tricyclopentylsulfanium;trifluoromethanesulfonate
CID 157735978
1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonate;tricyclopentylsulfanium
CID 158932103
Dicyclopentyl(trifluoromethylsulfonyl)sulfanium;trifluoromethanesulfonate
CID 10671336

Frequently Asked Questions

What is the IUPAC name of dicyclopentyl(trifluoromethylsulfonyl)sulfanium?
The IUPAC name of dicyclopentyl(trifluoromethylsulfonyl)sulfanium (CID 10671337) is dicyclopentyl(trifluoromethylsulfonyl)sulfanium.
What is the SMILES notation for dicyclopentyl(trifluoromethylsulfonyl)sulfanium?
The canonical SMILES for dicyclopentyl(trifluoromethylsulfonyl)sulfanium is O=S(=O)([S+](C1CCCC1)C1CCCC1)C(F)(F)F.
What is the InChIKey of dicyclopentyl(trifluoromethylsulfonyl)sulfanium?
The InChIKey is XJUSNDYGINMCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3O2S2/c12-11(13,14)18(15,16)17(9-5-1-2-6-9)10-7-3-4-8-10/h9-10H,1-8H2/q+1.
What are the key properties of dicyclopentyl(trifluoromethylsulfonyl)sulfanium?
dicyclopentyl(trifluoromethylsulfonyl)sulfanium has a molecular weight of 303.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopentyl(trifluoromethylsulfonyl)sulfanium is sourced from PubChem (CID 10671337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).