[(R)-(4-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate

C18H21FO2Si — CID 166438747

IUPAC[(R)-(4-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate
SMILESCC(=O)O[C@H](c1ccc(F)cc1)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C18H21FO2Si/c1-13(20)21-18(14-5-9-16(19)10-6-14)15-7-11-17(12-8-15)22(2,3)4/h5-12,18H,1-4H3/t18-/m1/s1
InChIKeyAQGPQECVPSWPAT-GOSISDBHSA-N
MW316.45 g/mol
LogP4.02
Rot. Bonds4

About [(R)-(4-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate

[(R)-(4-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate (PubChem CID 166438747) has the molecular formula C18H21FO2Si and a molecular weight of 316.45 g/mol. Its IUPAC name is [(R)-(4-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate.

Molecular Properties

Compound Name[(R)-(4-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate
PubChem CID166438747
Molecular FormulaC18H21FO2Si
Molecular Weight316.45 g/mol
Exact Mass316.13
IUPAC Name[(R)-(4-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate
SMILESCC(=O)O[C@H](c1ccc(F)cc1)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C18H21FO2Si/c1-13(20)21-18(14-5-9-16(19)10-6-14)15-7-11-17(12-8-15)22(2,3)4/h5-12,18H,1-4H3/t18-/m1/s1
InChIKeyAQGPQECVPSWPAT-GOSISDBHSA-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'}

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Frequently Asked Questions

What is the IUPAC name of [(R)-(4-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate?
The IUPAC name of [(R)-(4-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate (CID 166438747) is [(R)-(4-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate.
What is the SMILES notation for [(R)-(4-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate?
The canonical SMILES for [(R)-(4-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate is CC(=O)O[C@H](c1ccc(F)cc1)c1ccc([Si](C)(C)C)cc1.
What is the InChIKey of [(R)-(4-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate?
The InChIKey is AQGPQECVPSWPAT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21FO2Si/c1-13(20)21-18(14-5-9-16(19)10-6-14)15-7-11-17(12-8-15)22(2,3)4/h5-12,18H,1-4H3/t18-/m1/s1.
What are the key properties of [(R)-(4-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate?
[(R)-(4-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 [(R)-(4-fluorophenyl)-(4-trimethylsilylphenyl)methyl] acetate is sourced from PubChem (CID 166438747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).