[(Z)-4-bromo-3-fluoro-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane

C11H22BrFOSi — CID 153453215

IUPAC[(Z)-4-bromo-3-fluoro-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane
SMILESC/C(CO[Si](C)(C)C(C)(C)C)=C(/F)CBr
InChIInChI=1S/C11H22BrFOSi/c1-9(10(13)7-12)8-14-15(5,6)11(2,3)4/h7-8H2,1-6H3/b10-9-
InChIKeyBANGKWJLKPNECN-KTKRTIGZSA-N
MW297.28 g/mol
LogP4.65
Rot. Bonds4

About [(Z)-4-bromo-3-fluoro-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane

[(Z)-4-bromo-3-fluoro-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane (PubChem CID 153453215) has the molecular formula C11H22BrFOSi and a molecular weight of 297.28 g/mol. Its IUPAC name is [(Z)-4-bromo-3-fluoro-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(Z)-4-bromo-3-fluoro-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane
PubChem CID153453215
Molecular FormulaC11H22BrFOSi
Molecular Weight297.28 g/mol
Exact Mass296.06
IUPAC Name[(Z)-4-bromo-3-fluoro-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane
SMILESC/C(CO[Si](C)(C)C(C)(C)C)=C(/F)CBr
InChIInChI=1S/C11H22BrFOSi/c1-9(10(13)7-12)8-14-15(5,6)11(2,3)4/h7-8H2,1-6H3/b10-9-
InChIKeyBANGKWJLKPNECN-KTKRTIGZSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(Z)-4-bromo-3-fluoro-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-bromo-3-fluoro-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(Z)-4-bromo-3-fluoro-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane (CID 153453215) is [(Z)-4-bromo-3-fluoro-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(Z)-4-bromo-3-fluoro-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(Z)-4-bromo-3-fluoro-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane is C/C(CO[Si](C)(C)C(C)(C)C)=C(/F)CBr.
What is the InChIKey of [(Z)-4-bromo-3-fluoro-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is BANGKWJLKPNECN-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H22BrFOSi/c1-9(10(13)7-12)8-14-15(5,6)11(2,3)4/h7-8H2,1-6H3/b10-9-.
What are the key properties of [(Z)-4-bromo-3-fluoro-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane?
[(Z)-4-bromo-3-fluoro-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 297.28 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-bromo-3-fluoro-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 153453215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).