(4-fluoro-2-trimethylsilylphenyl) trifluoromethanesulfonate

C10H12F4O3SSi — CID 11197861

IUPAC(4-fluoro-2-trimethylsilylphenyl) trifluoromethanesulfonate
SMILESC[Si](C)(C)c1cc(F)ccc1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H12F4O3SSi/c1-19(2,3)9-6-7(11)4-5-8(9)17-18(15,16)10(12,13)14/h4-6H,1-3H3
InChIKeyFYNSQGMMZRYEDW-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.60
Rot. Bonds3

About (4-fluoro-2-trimethylsilylphenyl) trifluoromethanesulfonate

(4-fluoro-2-trimethylsilylphenyl) trifluoromethanesulfonate (PubChem CID 11197861) has the molecular formula C10H12F4O3SSi and a molecular weight of 316.35 g/mol. Its IUPAC name is (4-fluoro-2-trimethylsilylphenyl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(4-fluoro-2-trimethylsilylphenyl) trifluoromethanesulfonate
PubChem CID11197861
Molecular FormulaC10H12F4O3SSi
Molecular Weight316.35 g/mol
Exact Mass316.02
IUPAC Name(4-fluoro-2-trimethylsilylphenyl) trifluoromethanesulfonate
SMILESC[Si](C)(C)c1cc(F)ccc1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H12F4O3SSi/c1-19(2,3)9-6-7(11)4-5-8(9)17-18(15,16)10(12,13)14/h4-6H,1-3H3
InChIKeyFYNSQGMMZRYEDW-UHFFFAOYSA-N
XLogP2.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.60
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'}

Analyze (4-fluoro-2-trimethylsilylphenyl) trifluoromethanesulfonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-trimethylsilylphenyl) trifluoromethanesulfonate?
The IUPAC name of (4-fluoro-2-trimethylsilylphenyl) trifluoromethanesulfonate (CID 11197861) is (4-fluoro-2-trimethylsilylphenyl) trifluoromethanesulfonate.
What is the SMILES notation for (4-fluoro-2-trimethylsilylphenyl) trifluoromethanesulfonate?
The canonical SMILES for (4-fluoro-2-trimethylsilylphenyl) trifluoromethanesulfonate is C[Si](C)(C)c1cc(F)ccc1OS(=O)(=O)C(F)(F)F.
What is the InChIKey of (4-fluoro-2-trimethylsilylphenyl) trifluoromethanesulfonate?
The InChIKey is FYNSQGMMZRYEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4O3SSi/c1-19(2,3)9-6-7(11)4-5-8(9)17-18(15,16)10(12,13)14/h4-6H,1-3H3.
What are the key properties of (4-fluoro-2-trimethylsilylphenyl) trifluoromethanesulfonate?
(4-fluoro-2-trimethylsilylphenyl) trifluoromethanesulfonate has a molecular weight of 316.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-trimethylsilylphenyl) trifluoromethanesulfonate is sourced from PubChem (CID 11197861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).