[(S)-(3-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate

C18H21FO2Si — CID 166438746

IUPAC[(S)-(3-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate
SMILESCC(=O)O[C@@H](c1ccc([Si](C)(C)C)cc1)c1cccc(F)c1
InChIInChI=1S/C18H21FO2Si/c1-13(20)21-18(15-6-5-7-16(19)12-15)14-8-10-17(11-9-14)22(2,3)4/h5-12,18H,1-4H3/t18-/m0/s1
InChIKeyNFDNRYMWWUEWEW-SFHVURJKSA-N
MW316.45 g/mol
LogP4.02
Rot. Bonds4

About [(S)-(3-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate

[(S)-(3-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate (PubChem CID 166438746) has the molecular formula C18H21FO2Si and a molecular weight of 316.45 g/mol. Its IUPAC name is [(S)-(3-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate.

Molecular Properties

Compound Name[(S)-(3-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate
PubChem CID166438746
Molecular FormulaC18H21FO2Si
Molecular Weight316.45 g/mol
Exact Mass316.13
IUPAC Name[(S)-(3-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate
SMILESCC(=O)O[C@@H](c1ccc([Si](C)(C)C)cc1)c1cccc(F)c1
InChIInChI=1S/C18H21FO2Si/c1-13(20)21-18(15-6-5-7-16(19)12-15)14-8-10-17(11-9-14)22(2,3)4/h5-12,18H,1-4H3/t18-/m0/s1
InChIKeyNFDNRYMWWUEWEW-SFHVURJKSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(S)-(3-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate 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 [(S)-(3-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate?
The IUPAC name of [(S)-(3-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate (CID 166438746) is [(S)-(3-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate.
What is the SMILES notation for [(S)-(3-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate?
The canonical SMILES for [(S)-(3-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate is CC(=O)O[C@@H](c1ccc([Si](C)(C)C)cc1)c1cccc(F)c1.
What is the InChIKey of [(S)-(3-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate?
The InChIKey is NFDNRYMWWUEWEW-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21FO2Si/c1-13(20)21-18(15-6-5-7-16(19)12-15)14-8-10-17(11-9-14)22(2,3)4/h5-12,18H,1-4H3/t18-/m0/s1.
What are the key properties of [(S)-(3-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate?
[(S)-(3-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate has a molecular weight of 316.45 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(3-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate is sourced from PubChem (CID 166438746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).