(2-bromo-3-fluorophenyl)-trimethylsilane

C9H12BrFSi — CID 151018348

IUPAC(2-bromo-3-fluorophenyl)-trimethylsilane
SMILESC[Si](C)(C)c1cccc(F)c1Br
InChIInChI=1S/C9H12BrFSi/c1-12(2,3)8-6-4-5-7(11)9(8)10/h4-6H,1-3H3
InChIKeyLXOFORSYMDMHPQ-UHFFFAOYSA-N
MW247.18 g/mol
LogP3.13
Rot. Bonds1

About (2-bromo-3-fluorophenyl)-trimethylsilane

(2-bromo-3-fluorophenyl)-trimethylsilane (PubChem CID 151018348) has the molecular formula C9H12BrFSi and a molecular weight of 247.18 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-trimethylsilane.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-trimethylsilane
PubChem CID151018348
Molecular FormulaC9H12BrFSi
Molecular Weight247.18 g/mol
Exact Mass245.99
IUPAC Name(2-bromo-3-fluorophenyl)-trimethylsilane
SMILESC[Si](C)(C)c1cccc(F)c1Br
InChIInChI=1S/C9H12BrFSi/c1-12(2,3)8-6-4-5-7(11)9(8)10/h4-6H,1-3H3
InChIKeyLXOFORSYMDMHPQ-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 53.13
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 (2-bromo-3-fluorophenyl)-trimethylsilane?
The IUPAC name of (2-bromo-3-fluorophenyl)-trimethylsilane (CID 151018348) is (2-bromo-3-fluorophenyl)-trimethylsilane.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-trimethylsilane?
The canonical SMILES for (2-bromo-3-fluorophenyl)-trimethylsilane is C[Si](C)(C)c1cccc(F)c1Br.
What is the InChIKey of (2-bromo-3-fluorophenyl)-trimethylsilane?
The InChIKey is LXOFORSYMDMHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrFSi/c1-12(2,3)8-6-4-5-7(11)9(8)10/h4-6H,1-3H3.
What are the key properties of (2-bromo-3-fluorophenyl)-trimethylsilane?
(2-bromo-3-fluorophenyl)-trimethylsilane has a molecular weight of 247.18 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-trimethylsilane is sourced from PubChem (CID 151018348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).