(2-ethoxy-1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)oxy-trimethylsilane

C15H19F3O2Si — CID 23236909

IUPAC(2-ethoxy-1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)oxy-trimethylsilane
SMILESCCOC(C#Cc1ccccc1)(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C15H19F3O2Si/c1-5-19-14(15(16,17)18,20-21(2,3)4)12-11-13-9-7-6-8-10-13/h6-10H,5H2,1-4H3
InChIKeyBQHMIKDMTNSAJX-UHFFFAOYSA-N
MW316.39 g/mol
LogP4.18
Rot. Bonds4

About (2-ethoxy-1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)oxy-trimethylsilane

(2-ethoxy-1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)oxy-trimethylsilane (PubChem CID 23236909) has the molecular formula C15H19F3O2Si and a molecular weight of 316.39 g/mol. Its IUPAC name is (2-ethoxy-1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(2-ethoxy-1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)oxy-trimethylsilane
PubChem CID23236909
Molecular FormulaC15H19F3O2Si
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC Name(2-ethoxy-1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)oxy-trimethylsilane
SMILESCCOC(C#Cc1ccccc1)(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C15H19F3O2Si/c1-5-19-14(15(16,17)18,20-21(2,3)4)12-11-13-9-7-6-8-10-13/h6-10H,5H2,1-4H3
InChIKeyBQHMIKDMTNSAJX-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)oxy-trimethylsilane?
The IUPAC name of (2-ethoxy-1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)oxy-trimethylsilane (CID 23236909) is (2-ethoxy-1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)oxy-trimethylsilane.
What is the SMILES notation for (2-ethoxy-1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)oxy-trimethylsilane?
The canonical SMILES for (2-ethoxy-1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)oxy-trimethylsilane is CCOC(C#Cc1ccccc1)(O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of (2-ethoxy-1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)oxy-trimethylsilane?
The InChIKey is BQHMIKDMTNSAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O2Si/c1-5-19-14(15(16,17)18,20-21(2,3)4)12-11-13-9-7-6-8-10-13/h6-10H,5H2,1-4H3.
What are the key properties of (2-ethoxy-1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)oxy-trimethylsilane?
(2-ethoxy-1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)oxy-trimethylsilane has a molecular weight of 316.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)oxy-trimethylsilane is sourced from PubChem (CID 23236909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).