trimethyl-[2-[4-(trifluoromethylsulfonyl)phenyl]ethynyl]silane

C12H13F3O2SSi — CID 121003520

IUPACtrimethyl-[2-[4-(trifluoromethylsulfonyl)phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H13F3O2SSi/c1-19(2,3)9-8-10-4-6-11(7-5-10)18(16,17)12(13,14)15/h4-7H,1-3H3
InChIKeyZGKHTZSYWLJADR-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.21
Rot. Bonds1

About trimethyl-[2-[4-(trifluoromethylsulfonyl)phenyl]ethynyl]silane

trimethyl-[2-[4-(trifluoromethylsulfonyl)phenyl]ethynyl]silane (PubChem CID 121003520) has the molecular formula C12H13F3O2SSi and a molecular weight of 306.38 g/mol. Its IUPAC name is trimethyl-[2-[4-(trifluoromethylsulfonyl)phenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[4-(trifluoromethylsulfonyl)phenyl]ethynyl]silane
PubChem CID121003520
Molecular FormulaC12H13F3O2SSi
Molecular Weight306.38 g/mol
Exact Mass306.04
IUPAC Nametrimethyl-[2-[4-(trifluoromethylsulfonyl)phenyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H13F3O2SSi/c1-19(2,3)9-8-10-4-6-11(7-5-10)18(16,17)12(13,14)15/h4-7H,1-3H3
InChIKeyZGKHTZSYWLJADR-UHFFFAOYSA-N
XLogP3.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[4-(trifluoromethylsulfonyl)phenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[4-(trifluoromethylsulfonyl)phenyl]ethynyl]silane (CID 121003520) is trimethyl-[2-[4-(trifluoromethylsulfonyl)phenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[4-(trifluoromethylsulfonyl)phenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[4-(trifluoromethylsulfonyl)phenyl]ethynyl]silane is C[Si](C)(C)C#Cc1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of trimethyl-[2-[4-(trifluoromethylsulfonyl)phenyl]ethynyl]silane?
The InChIKey is ZGKHTZSYWLJADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2SSi/c1-19(2,3)9-8-10-4-6-11(7-5-10)18(16,17)12(13,14)15/h4-7H,1-3H3.
What are the key properties of trimethyl-[2-[4-(trifluoromethylsulfonyl)phenyl]ethynyl]silane?
trimethyl-[2-[4-(trifluoromethylsulfonyl)phenyl]ethynyl]silane has a molecular weight of 306.38 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[4-(trifluoromethylsulfonyl)phenyl]ethynyl]silane is sourced from PubChem (CID 121003520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).