(1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate

C14H15F3O3SSi — CID 11078565

IUPAC(1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate
SMILESC[Si](C)(C)c1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C14H15F3O3SSi/c1-22(2,3)13-11-7-5-4-6-10(11)8-9-12(13)20-21(18,19)14(15,16)17/h4-9H,1-3H3
InChIKeyDHFMFICBVHCWGQ-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.61
Rot. Bonds3

About (1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate

(1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate (PubChem CID 11078565) has the molecular formula C14H15F3O3SSi and a molecular weight of 348.42 g/mol. Its IUPAC name is (1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate
PubChem CID11078565
Molecular FormulaC14H15F3O3SSi
Molecular Weight348.42 g/mol
Exact Mass348.05
IUPAC Name(1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate
SMILESC[Si](C)(C)c1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C14H15F3O3SSi/c1-22(2,3)13-11-7-5-4-6-10(11)8-9-12(13)20-21(18,19)14(15,16)17/h4-9H,1-3H3
InChIKeyDHFMFICBVHCWGQ-UHFFFAOYSA-N
XLogP3.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate?
The IUPAC name of (1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate (CID 11078565) is (1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate.
What is the SMILES notation for (1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate?
The canonical SMILES for (1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate is C[Si](C)(C)c1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12.
What is the InChIKey of (1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate?
The InChIKey is DHFMFICBVHCWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O3SSi/c1-22(2,3)13-11-7-5-4-6-10(11)8-9-12(13)20-21(18,19)14(15,16)17/h4-9H,1-3H3.
What are the key properties of (1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate?
(1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate has a molecular weight of 348.42 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate is sourced from PubChem (CID 11078565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).