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

C10H18BrF3OSi — CID 11638311

IUPAC[(E)-3-bromo-2-(trifluoromethyl)prop-2-enoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C(=C\Br)C(F)(F)F
InChIInChI=1S/C10H18BrF3OSi/c1-9(2,3)16(4,5)15-7-8(6-11)10(12,13)14/h6H,7H2,1-5H3/b8-6+
InChIKeyLOGXHZGVMWMQCR-SOFGYWHQSA-N
MW319.24 g/mol
LogP4.85
Rot. Bonds3

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

[(E)-3-bromo-2-(trifluoromethyl)prop-2-enoxy]-tert-butyl-dimethylsilane (PubChem CID 11638311) has the molecular formula C10H18BrF3OSi and a molecular weight of 319.24 g/mol. Its IUPAC name is [(E)-3-bromo-2-(trifluoromethyl)prop-2-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E)-3-bromo-2-(trifluoromethyl)prop-2-enoxy]-tert-butyl-dimethylsilane
PubChem CID11638311
Molecular FormulaC10H18BrF3OSi
Molecular Weight319.24 g/mol
Exact Mass318.03
IUPAC Name[(E)-3-bromo-2-(trifluoromethyl)prop-2-enoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C(=C\Br)C(F)(F)F
InChIInChI=1S/C10H18BrF3OSi/c1-9(2,3)16(4,5)15-7-8(6-11)10(12,13)14/h6H,7H2,1-5H3/b8-6+
InChIKeyLOGXHZGVMWMQCR-SOFGYWHQSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.85
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)prop-2-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E)-3-bromo-2-(trifluoromethyl)prop-2-enoxy]-tert-butyl-dimethylsilane (CID 11638311) is [(E)-3-bromo-2-(trifluoromethyl)prop-2-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E)-3-bromo-2-(trifluoromethyl)prop-2-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E)-3-bromo-2-(trifluoromethyl)prop-2-enoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC/C(=C\Br)C(F)(F)F.
What is the InChIKey of [(E)-3-bromo-2-(trifluoromethyl)prop-2-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is LOGXHZGVMWMQCR-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H18BrF3OSi/c1-9(2,3)16(4,5)15-7-8(6-11)10(12,13)14/h6H,7H2,1-5H3/b8-6+.
What are the key properties of [(E)-3-bromo-2-(trifluoromethyl)prop-2-enoxy]-tert-butyl-dimethylsilane?
[(E)-3-bromo-2-(trifluoromethyl)prop-2-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 319.24 g/mol, XLogP of 4.85, 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)prop-2-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11638311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).