[dicyclohexyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate

C14H22F6O6S2Sn — CID 134991187

IUPAC[dicyclohexyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate
SMILESO=S(=O)(O[Sn](OS(=O)(=O)C(F)(F)F)(C1CCCCC1)C1CCCCC1)C(F)(F)F
InChIInChI=1S/2C6H11.2CHF3O3S.Sn/c2*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;/h2*1H,2-6H2;2*(H,5,6,7);/q;;;;+2/p-2
InChIKeyYXJPTEMDSAAUSQ-UHFFFAOYSA-L
MW583.16 g/mol
LogP4.83
Rot. Bonds6

About [dicyclohexyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate

[dicyclohexyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate (PubChem CID 134991187) has the molecular formula C14H22F6O6S2Sn and a molecular weight of 583.16 g/mol. Its IUPAC name is [dicyclohexyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[dicyclohexyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate
PubChem CID134991187
Molecular FormulaC14H22F6O6S2Sn
Molecular Weight583.16 g/mol
Exact Mass583.98
IUPAC Name[dicyclohexyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate
SMILESO=S(=O)(O[Sn](OS(=O)(=O)C(F)(F)F)(C1CCCCC1)C1CCCCC1)C(F)(F)F
InChIInChI=1S/2C6H11.2CHF3O3S.Sn/c2*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;/h2*1H,2-6H2;2*(H,5,6,7);/q;;;;+2/p-2
InChIKeyYXJPTEMDSAAUSQ-UHFFFAOYSA-L
XLogP4.83
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.16
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dicyclopentylboranyl trifluoromethanesulfonate
CID 11822621
dicyclohexylsilyl trifluoromethanesulfonate
CID 152622739
CID 87994046
CID 87994046
(1-cyclopentyl-1-fluoroethyl) trifluoromethanesulfonate
CID 87647961
trans-(1R,2R)-2-methylcyclohexan-1-ol;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 91351531
trifluoromethylsulfonyloxymethyl 2-cyclohexylacetate
CID 151994272
(Trifluoromethanesulfonyloxy)dimethylsilane
CID 11828587
tricyclohexylphosphane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 158312526
cyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate
CID 98044014
[dicyclohexyl(oxan-2-yl)-λ4-sulfanyl] trifluoromethanesulfonate
CID 141244296
cyclopentanol;2,2,2-trifluoroacetic acid
CID 175723828
1-cyclopropyloxyethyl trifluoromethanesulfonate
CID 154943234

Frequently Asked Questions

What is the IUPAC name of [dicyclohexyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate?
The IUPAC name of [dicyclohexyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate (CID 134991187) is [dicyclohexyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate.
What is the SMILES notation for [dicyclohexyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate?
The canonical SMILES for [dicyclohexyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate is O=S(=O)(O[Sn](OS(=O)(=O)C(F)(F)F)(C1CCCCC1)C1CCCCC1)C(F)(F)F.
What is the InChIKey of [dicyclohexyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate?
The InChIKey is YXJPTEMDSAAUSQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H11.2CHF3O3S.Sn/c2*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;/h2*1H,2-6H2;2*(H,5,6,7);/q;;;;+2/p-2.
What are the key properties of [dicyclohexyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate?
[dicyclohexyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate has a molecular weight of 583.16 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dicyclohexyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate is sourced from PubChem (CID 134991187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).