4-(4-fluorophenyl)sulfanylbut-1-en-2-yloxy-trimethylsilane

C13H19FOSSi — CID 123923700

IUPAC4-(4-fluorophenyl)sulfanylbut-1-en-2-yloxy-trimethylsilane
SMILESC=C(CCSc1ccc(F)cc1)O[Si](C)(C)C
InChIInChI=1S/C13H19FOSSi/c1-11(15-17(2,3)4)9-10-16-13-7-5-12(14)6-8-13/h5-8H,1,9-10H2,2-4H3
InChIKeyKLKDTTBEWHPNQE-UHFFFAOYSA-N
MW270.44 g/mol
LogP4.67
Rot. Bonds6

About 4-(4-fluorophenyl)sulfanylbut-1-en-2-yloxy-trimethylsilane

4-(4-fluorophenyl)sulfanylbut-1-en-2-yloxy-trimethylsilane (PubChem CID 123923700) has the molecular formula C13H19FOSSi and a molecular weight of 270.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanylbut-1-en-2-yloxy-trimethylsilane.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanylbut-1-en-2-yloxy-trimethylsilane
PubChem CID123923700
Molecular FormulaC13H19FOSSi
Molecular Weight270.44 g/mol
Exact Mass270.09
IUPAC Name4-(4-fluorophenyl)sulfanylbut-1-en-2-yloxy-trimethylsilane
SMILESC=C(CCSc1ccc(F)cc1)O[Si](C)(C)C
InChIInChI=1S/C13H19FOSSi/c1-11(15-17(2,3)4)9-10-16-13-7-5-12(14)6-8-13/h5-8H,1,9-10H2,2-4H3
InChIKeyKLKDTTBEWHPNQE-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanylbut-1-en-2-yloxy-trimethylsilane?
The IUPAC name of 4-(4-fluorophenyl)sulfanylbut-1-en-2-yloxy-trimethylsilane (CID 123923700) is 4-(4-fluorophenyl)sulfanylbut-1-en-2-yloxy-trimethylsilane.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanylbut-1-en-2-yloxy-trimethylsilane?
The canonical SMILES for 4-(4-fluorophenyl)sulfanylbut-1-en-2-yloxy-trimethylsilane is C=C(CCSc1ccc(F)cc1)O[Si](C)(C)C.
What is the InChIKey of 4-(4-fluorophenyl)sulfanylbut-1-en-2-yloxy-trimethylsilane?
The InChIKey is KLKDTTBEWHPNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FOSSi/c1-11(15-17(2,3)4)9-10-16-13-7-5-12(14)6-8-13/h5-8H,1,9-10H2,2-4H3.
What are the key properties of 4-(4-fluorophenyl)sulfanylbut-1-en-2-yloxy-trimethylsilane?
4-(4-fluorophenyl)sulfanylbut-1-en-2-yloxy-trimethylsilane has a molecular weight of 270.44 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanylbut-1-en-2-yloxy-trimethylsilane is sourced from PubChem (CID 123923700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).