(1-fluoro-2-phenylsulfanylethoxy)-trimethylsilane

C11H17FOSSi — CID 164806355

IUPAC(1-fluoro-2-phenylsulfanylethoxy)-trimethylsilane
SMILESC[Si](C)(C)OC(F)CSc1ccccc1
InChIInChI=1S/C11H17FOSSi/c1-15(2,3)13-11(12)9-14-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyMNNZBZFVZXLUAQ-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.93
Rot. Bonds5

About (1-fluoro-2-phenylsulfanylethoxy)-trimethylsilane

(1-fluoro-2-phenylsulfanylethoxy)-trimethylsilane (PubChem CID 164806355) has the molecular formula C11H17FOSSi and a molecular weight of 244.41 g/mol. Its IUPAC name is (1-fluoro-2-phenylsulfanylethoxy)-trimethylsilane.

Molecular Properties

Compound Name(1-fluoro-2-phenylsulfanylethoxy)-trimethylsilane
PubChem CID164806355
Molecular FormulaC11H17FOSSi
Molecular Weight244.41 g/mol
Exact Mass244.08
IUPAC Name(1-fluoro-2-phenylsulfanylethoxy)-trimethylsilane
SMILESC[Si](C)(C)OC(F)CSc1ccccc1
InChIInChI=1S/C11H17FOSSi/c1-15(2,3)13-11(12)9-14-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyMNNZBZFVZXLUAQ-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.93
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 (1-fluoro-2-phenylsulfanylethoxy)-trimethylsilane?
The IUPAC name of (1-fluoro-2-phenylsulfanylethoxy)-trimethylsilane (CID 164806355) is (1-fluoro-2-phenylsulfanylethoxy)-trimethylsilane.
What is the SMILES notation for (1-fluoro-2-phenylsulfanylethoxy)-trimethylsilane?
The canonical SMILES for (1-fluoro-2-phenylsulfanylethoxy)-trimethylsilane is C[Si](C)(C)OC(F)CSc1ccccc1.
What is the InChIKey of (1-fluoro-2-phenylsulfanylethoxy)-trimethylsilane?
The InChIKey is MNNZBZFVZXLUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FOSSi/c1-15(2,3)13-11(12)9-14-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3.
What are the key properties of (1-fluoro-2-phenylsulfanylethoxy)-trimethylsilane?
(1-fluoro-2-phenylsulfanylethoxy)-trimethylsilane has a molecular weight of 244.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-2-phenylsulfanylethoxy)-trimethylsilane is sourced from PubChem (CID 164806355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).