1-(3-bromo-2-fluorophenyl)ethenoxy-tert-butyl-dimethylsilane

C14H20BrFOSi — CID 20785300

IUPAC1-(3-bromo-2-fluorophenyl)ethenoxy-tert-butyl-dimethylsilane
SMILESC=C(O[Si](C)(C)C(C)(C)C)c1cccc(Br)c1F
InChIInChI=1S/C14H20BrFOSi/c1-10(17-18(5,6)14(2,3)4)11-8-7-9-12(15)13(11)16/h7-9H,1H2,2-6H3
InChIKeyKFSXNIGGUILDRF-UHFFFAOYSA-N
MW331.30 g/mol
LogP5.58
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)ethenoxy-tert-butyl-dimethylsilane

1-(3-bromo-2-fluorophenyl)ethenoxy-tert-butyl-dimethylsilane (PubChem CID 20785300) has the molecular formula C14H20BrFOSi and a molecular weight of 331.30 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)ethenoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)ethenoxy-tert-butyl-dimethylsilane
PubChem CID20785300
Molecular FormulaC14H20BrFOSi
Molecular Weight331.30 g/mol
Exact Mass330.05
IUPAC Name1-(3-bromo-2-fluorophenyl)ethenoxy-tert-butyl-dimethylsilane
SMILESC=C(O[Si](C)(C)C(C)(C)C)c1cccc(Br)c1F
InChIInChI=1S/C14H20BrFOSi/c1-10(17-18(5,6)14(2,3)4)11-8-7-9-12(15)13(11)16/h7-9H,1H2,2-6H3
InChIKeyKFSXNIGGUILDRF-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.30
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)ethenoxy-tert-butyl-dimethylsilane?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)ethenoxy-tert-butyl-dimethylsilane (CID 20785300) is 1-(3-bromo-2-fluorophenyl)ethenoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)ethenoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)ethenoxy-tert-butyl-dimethylsilane is C=C(O[Si](C)(C)C(C)(C)C)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)ethenoxy-tert-butyl-dimethylsilane?
The InChIKey is KFSXNIGGUILDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFOSi/c1-10(17-18(5,6)14(2,3)4)11-8-7-9-12(15)13(11)16/h7-9H,1H2,2-6H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)ethenoxy-tert-butyl-dimethylsilane?
1-(3-bromo-2-fluorophenyl)ethenoxy-tert-butyl-dimethylsilane has a molecular weight of 331.30 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)ethenoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 20785300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).