dicyclohexylsilyl trifluoromethanesulfonate

C13H23F3O3SSi — CID 152622739

IUPACdicyclohexylsilyl trifluoromethanesulfonate
SMILESO=S(=O)(O[SiH](C1CCCCC1)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C13H23F3O3SSi/c14-13(15,16)20(17,18)19-21(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,21H,1-10H2
InChIKeyZBWHWSZYVUMDDJ-UHFFFAOYSA-N
MW344.47 g/mol
LogP4.24
Rot. Bonds4

About dicyclohexylsilyl trifluoromethanesulfonate

dicyclohexylsilyl trifluoromethanesulfonate (PubChem CID 152622739) has the molecular formula C13H23F3O3SSi and a molecular weight of 344.47 g/mol. Its IUPAC name is dicyclohexylsilyl trifluoromethanesulfonate.

Molecular Properties

Compound Namedicyclohexylsilyl trifluoromethanesulfonate
PubChem CID152622739
Molecular FormulaC13H23F3O3SSi
Molecular Weight344.47 g/mol
Exact Mass344.11
IUPAC Namedicyclohexylsilyl trifluoromethanesulfonate
SMILESO=S(=O)(O[SiH](C1CCCCC1)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C13H23F3O3SSi/c14-13(15,16)20(17,18)19-21(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,21H,1-10H2
InChIKeyZBWHWSZYVUMDDJ-UHFFFAOYSA-N
XLogP4.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 87994046
CID 87994046
[dicyclohexyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate
CID 134991187
dicyclopentylboranyl trifluoromethanesulfonate
CID 11822621
(1-cyclopentyl-1-fluoroethyl) trifluoromethanesulfonate
CID 87647961
trans-(1R,2R)-2-methylcyclohexan-1-ol;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 91351531
spiro[4.4]nonan-4-yl trifluoromethanesulfonate
CID 130702889
trifluoromethylsulfonyloxymethyl 2-cyclohexylacetate
CID 151994272
[(E)-2-cyano-1-cyclopentylethenyl] trifluoromethanesulfonate
CID 154678249
2-cyclohexyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 87208246
2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane
CID 87174631
[dicyclohexyl(oxan-2-yl)-λ4-sulfanyl] trifluoromethanesulfonate
CID 141244296
[methyl(methylamino)silyl] trifluoromethanesulfonate
CID 123394022

Frequently Asked Questions

What is the IUPAC name of dicyclohexylsilyl trifluoromethanesulfonate?
The IUPAC name of dicyclohexylsilyl trifluoromethanesulfonate (CID 152622739) is dicyclohexylsilyl trifluoromethanesulfonate.
What is the SMILES notation for dicyclohexylsilyl trifluoromethanesulfonate?
The canonical SMILES for dicyclohexylsilyl trifluoromethanesulfonate is O=S(=O)(O[SiH](C1CCCCC1)C1CCCCC1)C(F)(F)F.
What is the InChIKey of dicyclohexylsilyl trifluoromethanesulfonate?
The InChIKey is ZBWHWSZYVUMDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3O3SSi/c14-13(15,16)20(17,18)19-21(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,21H,1-10H2.
What are the key properties of dicyclohexylsilyl trifluoromethanesulfonate?
dicyclohexylsilyl trifluoromethanesulfonate has a molecular weight of 344.47 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexylsilyl trifluoromethanesulfonate is sourced from PubChem (CID 152622739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).