[(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane

C20H24BrFOSi — CID 102071297

IUPAC[(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCC/C=C(/F)Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24BrFOSi/c1-20(2,3)24(17-11-6-4-7-12-17,18-13-8-5-9-14-18)23-16-10-15-19(21)22/h4-9,11-15H,10,16H2,1-3H3/b19-15+
InChIKeyIEECMLBILAOFIE-XDJHFCHBSA-N
MW407.40 g/mol
LogP5.16
Rot. Bonds6

About [(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane

[(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane (PubChem CID 102071297) has the molecular formula C20H24BrFOSi and a molecular weight of 407.40 g/mol. Its IUPAC name is [(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane
PubChem CID102071297
Molecular FormulaC20H24BrFOSi
Molecular Weight407.40 g/mol
Exact Mass406.08
IUPAC Name[(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCC/C=C(/F)Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24BrFOSi/c1-20(2,3)24(17-11-6-4-7-12-17,18-13-8-5-9-14-18)23-16-10-15-19(21)22/h4-9,11-15H,10,16H2,1-3H3/b19-15+
InChIKeyIEECMLBILAOFIE-XDJHFCHBSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane (CID 102071297) is [(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCC/C=C(/F)Br)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane?
The InChIKey is IEECMLBILAOFIE-XDJHFCHBSA-N. The full InChI is InChI=1S/C20H24BrFOSi/c1-20(2,3)24(17-11-6-4-7-12-17,18-13-8-5-9-14-18)23-16-10-15-19(21)22/h4-9,11-15H,10,16H2,1-3H3/b19-15+.
What are the key properties of [(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane?
[(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane has a molecular weight of 407.40 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 102071297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).