(7-methoxy-1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate

C15H17F3O4SSi — CID 15941865

IUPAC(7-methoxy-1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate
SMILESCOc1ccc2ccc(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c2c1
InChIInChI=1S/C15H17F3O4SSi/c1-21-11-7-5-10-6-8-13(22-23(19,20)15(16,17)18)14(12(10)9-11)24(2,3)4/h5-9H,1-4H3
InChIKeyLUHDMVXCFPQYSU-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.62
Rot. Bonds4

About (7-methoxy-1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate

(7-methoxy-1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate (PubChem CID 15941865) has the molecular formula C15H17F3O4SSi and a molecular weight of 378.44 g/mol. Its IUPAC name is (7-methoxy-1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(7-methoxy-1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate
PubChem CID15941865
Molecular FormulaC15H17F3O4SSi
Molecular Weight378.44 g/mol
Exact Mass378.06
IUPAC Name(7-methoxy-1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate
SMILESCOc1ccc2ccc(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c2c1
InChIInChI=1S/C15H17F3O4SSi/c1-21-11-7-5-10-6-8-13(22-23(19,20)15(16,17)18)14(12(10)9-11)24(2,3)4/h5-9H,1-4H3
InChIKeyLUHDMVXCFPQYSU-UHFFFAOYSA-N
XLogP3.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (7-methoxy-1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate?
The IUPAC name of (7-methoxy-1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate (CID 15941865) is (7-methoxy-1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate.
What is the SMILES notation for (7-methoxy-1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate?
The canonical SMILES for (7-methoxy-1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate is COc1ccc2ccc(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c2c1.
What is the InChIKey of (7-methoxy-1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate?
The InChIKey is LUHDMVXCFPQYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O4SSi/c1-21-11-7-5-10-6-8-13(22-23(19,20)15(16,17)18)14(12(10)9-11)24(2,3)4/h5-9H,1-4H3.
What are the key properties of (7-methoxy-1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate?
(7-methoxy-1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate has a molecular weight of 378.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1-trimethylsilylnaphthalen-2-yl) trifluoromethanesulfonate is sourced from PubChem (CID 15941865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).