[4-(4-bromo-2-fluorophenyl)-2,3-difluorophenyl]-trimethylsilane

C15H14BrF3Si — CID 11462508

IUPAC[4-(4-bromo-2-fluorophenyl)-2,3-difluorophenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc(Br)cc2F)c(F)c1F
InChIInChI=1S/C15H14BrF3Si/c1-20(2,3)13-7-6-11(14(18)15(13)19)10-5-4-9(16)8-12(10)17/h4-8H,1-3H3
InChIKeyXCJZBYCTXVPJPF-UHFFFAOYSA-N
MW359.26 g/mol
LogP5.08
Rot. Bonds2

About [4-(4-bromo-2-fluorophenyl)-2,3-difluorophenyl]-trimethylsilane

[4-(4-bromo-2-fluorophenyl)-2,3-difluorophenyl]-trimethylsilane (PubChem CID 11462508) has the molecular formula C15H14BrF3Si and a molecular weight of 359.26 g/mol. Its IUPAC name is [4-(4-bromo-2-fluorophenyl)-2,3-difluorophenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-(4-bromo-2-fluorophenyl)-2,3-difluorophenyl]-trimethylsilane
PubChem CID11462508
Molecular FormulaC15H14BrF3Si
Molecular Weight359.26 g/mol
Exact Mass358.00
IUPAC Name[4-(4-bromo-2-fluorophenyl)-2,3-difluorophenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2ccc(Br)cc2F)c(F)c1F
InChIInChI=1S/C15H14BrF3Si/c1-20(2,3)13-7-6-11(14(18)15(13)19)10-5-4-9(16)8-12(10)17/h4-8H,1-3H3
InChIKeyXCJZBYCTXVPJPF-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.26
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [4-(4-bromo-2-fluorophenyl)-2,3-difluorophenyl]-trimethylsilane?
The IUPAC name of [4-(4-bromo-2-fluorophenyl)-2,3-difluorophenyl]-trimethylsilane (CID 11462508) is [4-(4-bromo-2-fluorophenyl)-2,3-difluorophenyl]-trimethylsilane.
What is the SMILES notation for [4-(4-bromo-2-fluorophenyl)-2,3-difluorophenyl]-trimethylsilane?
The canonical SMILES for [4-(4-bromo-2-fluorophenyl)-2,3-difluorophenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2ccc(Br)cc2F)c(F)c1F.
What is the InChIKey of [4-(4-bromo-2-fluorophenyl)-2,3-difluorophenyl]-trimethylsilane?
The InChIKey is XCJZBYCTXVPJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF3Si/c1-20(2,3)13-7-6-11(14(18)15(13)19)10-5-4-9(16)8-12(10)17/h4-8H,1-3H3.
What are the key properties of [4-(4-bromo-2-fluorophenyl)-2,3-difluorophenyl]-trimethylsilane?
[4-(4-bromo-2-fluorophenyl)-2,3-difluorophenyl]-trimethylsilane has a molecular weight of 359.26 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-2-fluorophenyl)-2,3-difluorophenyl]-trimethylsilane is sourced from PubChem (CID 11462508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).