dicyclopentyl(trifluoromethylsulfonyl)sulfanium;trifluoromethanesulfonate

C12H18F6O5S3 — CID 10671336

IUPACdicyclopentyl(trifluoromethylsulfonyl)sulfanium;trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([S+](C1CCCC1)C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H18F3O2S2.CHF3O3S/c12-11(13,14)18(15,16)17(9-5-1-2-6-9)10-7-3-4-8-10;2-1(3,4)8(5,6)7/h9-10H,1-8H2;(H,5,6,7)/q+1;/p-1
InChIKeyFERTVVBFNZNNEB-UHFFFAOYSA-M
MW452.46 g/mol
LogP3.39
Rot. Bonds3

About dicyclopentyl(trifluoromethylsulfonyl)sulfanium;trifluoromethanesulfonate

dicyclopentyl(trifluoromethylsulfonyl)sulfanium;trifluoromethanesulfonate (PubChem CID 10671336) has the molecular formula C12H18F6O5S3 and a molecular weight of 452.46 g/mol. Its IUPAC name is dicyclopentyl(trifluoromethylsulfonyl)sulfanium;trifluoromethanesulfonate.

Molecular Properties

Compound Namedicyclopentyl(trifluoromethylsulfonyl)sulfanium;trifluoromethanesulfonate
PubChem CID10671336
Molecular FormulaC12H18F6O5S3
Molecular Weight452.46 g/mol
Exact Mass452.02
IUPAC Namedicyclopentyl(trifluoromethylsulfonyl)sulfanium;trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([S+](C1CCCC1)C1CCCC1)C(F)(F)F
InChIInChI=1S/C11H18F3O2S2.CHF3O3S/c12-11(13,14)18(15,16)17(9-5-1-2-6-9)10-7-3-4-8-10;2-1(3,4)8(5,6)7/h9-10H,1-8H2;(H,5,6,7)/q+1;/p-1
InChIKeyFERTVVBFNZNNEB-UHFFFAOYSA-M
XLogP3.39
TPSA91.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze dicyclopentyl(trifluoromethylsulfonyl)sulfanium;trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[1-(Trifluoromethylsulfonyloxy)thiolan-1-yl]thiolan-1-yl] trifluoromethanesulfonate
CID 134882239
1,2,3,4-Tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane
CID 59584260
(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
1-Pentylsulfanylpentane;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 175006851
Dicyclopentyl(trifluoromethylsulfonyl)sulfanium
CID 10671337
1,2,3,4-Tetrafluoro-5-[1-(trifluoromethylsulfonyl)propylsulfonyl]cyclopentane
CID 59584261
1,2,3,4-Tetrafluoro-5-[3,3,3-trifluoro-1-(trifluoromethylsulfonyl)propyl]sulfonylcyclopentane
CID 59584283

Frequently Asked Questions

What is the IUPAC name of dicyclopentyl(trifluoromethylsulfonyl)sulfanium;trifluoromethanesulfonate?
The IUPAC name of dicyclopentyl(trifluoromethylsulfonyl)sulfanium;trifluoromethanesulfonate (CID 10671336) is dicyclopentyl(trifluoromethylsulfonyl)sulfanium;trifluoromethanesulfonate.
What is the SMILES notation for dicyclopentyl(trifluoromethylsulfonyl)sulfanium;trifluoromethanesulfonate?
The canonical SMILES for dicyclopentyl(trifluoromethylsulfonyl)sulfanium;trifluoromethanesulfonate is O=S(=O)([O-])C(F)(F)F.O=S(=O)([S+](C1CCCC1)C1CCCC1)C(F)(F)F.
What is the InChIKey of dicyclopentyl(trifluoromethylsulfonyl)sulfanium;trifluoromethanesulfonate?
The InChIKey is FERTVVBFNZNNEB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H18F3O2S2.CHF3O3S/c12-11(13,14)18(15,16)17(9-5-1-2-6-9)10-7-3-4-8-10;2-1(3,4)8(5,6)7/h9-10H,1-8H2;(H,5,6,7)/q+1;/p-1.
What are the key properties of dicyclopentyl(trifluoromethylsulfonyl)sulfanium;trifluoromethanesulfonate?
dicyclopentyl(trifluoromethylsulfonyl)sulfanium;trifluoromethanesulfonate has a molecular weight of 452.46 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopentyl(trifluoromethylsulfonyl)sulfanium;trifluoromethanesulfonate is sourced from PubChem (CID 10671336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).