[(E)-3-bromo-2-(trifluoromethyl)but-2-enoxy]-tert-butyl-dimethylsilane

C11H20BrF3OSi — CID 102514537

IUPAC[(E)-3-bromo-2-(trifluoromethyl)but-2-enoxy]-tert-butyl-dimethylsilane
SMILESC/C(Br)=C(/CO[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H20BrF3OSi/c1-8(12)9(11(13,14)15)7-16-17(5,6)10(2,3)4/h7H2,1-6H3/b9-8+
InChIKeyXYWCXEHCBJPAQA-CMDGGOBGSA-N
MW333.26 g/mol
LogP5.24
Rot. Bonds3

About [(E)-3-bromo-2-(trifluoromethyl)but-2-enoxy]-tert-butyl-dimethylsilane

[(E)-3-bromo-2-(trifluoromethyl)but-2-enoxy]-tert-butyl-dimethylsilane (PubChem CID 102514537) has the molecular formula C11H20BrF3OSi and a molecular weight of 333.26 g/mol. Its IUPAC name is [(E)-3-bromo-2-(trifluoromethyl)but-2-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E)-3-bromo-2-(trifluoromethyl)but-2-enoxy]-tert-butyl-dimethylsilane
PubChem CID102514537
Molecular FormulaC11H20BrF3OSi
Molecular Weight333.26 g/mol
Exact Mass332.04
IUPAC Name[(E)-3-bromo-2-(trifluoromethyl)but-2-enoxy]-tert-butyl-dimethylsilane
SMILESC/C(Br)=C(/CO[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H20BrF3OSi/c1-8(12)9(11(13,14)15)7-16-17(5,6)10(2,3)4/h7H2,1-6H3/b9-8+
InChIKeyXYWCXEHCBJPAQA-CMDGGOBGSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.26
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(E)-3-bromo-2-(trifluoromethyl)but-2-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E)-3-bromo-2-(trifluoromethyl)but-2-enoxy]-tert-butyl-dimethylsilane (CID 102514537) is [(E)-3-bromo-2-(trifluoromethyl)but-2-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E)-3-bromo-2-(trifluoromethyl)but-2-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E)-3-bromo-2-(trifluoromethyl)but-2-enoxy]-tert-butyl-dimethylsilane is C/C(Br)=C(/CO[Si](C)(C)C(C)(C)C)C(F)(F)F.
What is the InChIKey of [(E)-3-bromo-2-(trifluoromethyl)but-2-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is XYWCXEHCBJPAQA-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H20BrF3OSi/c1-8(12)9(11(13,14)15)7-16-17(5,6)10(2,3)4/h7H2,1-6H3/b9-8+.
What are the key properties of [(E)-3-bromo-2-(trifluoromethyl)but-2-enoxy]-tert-butyl-dimethylsilane?
[(E)-3-bromo-2-(trifluoromethyl)but-2-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 333.26 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-bromo-2-(trifluoromethyl)but-2-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 102514537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).