(3-bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane

C13H20BrFOSi — CID 20785462

IUPAC(3-bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(F)c(Br)c1
InChIInChI=1S/C13H20BrFOSi/c1-13(2,3)17(4,5)16-9-10-6-7-12(15)11(14)8-10/h6-8H,9H2,1-5H3
InChIKeyHMZDCJNPEKOOKB-UHFFFAOYSA-N
MW319.29 g/mol
LogP5.11
Rot. Bonds3

About (3-bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane

(3-bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane (PubChem CID 20785462) has the molecular formula C13H20BrFOSi and a molecular weight of 319.29 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane
PubChem CID20785462
Molecular FormulaC13H20BrFOSi
Molecular Weight319.29 g/mol
Exact Mass318.05
IUPAC Name(3-bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(F)c(Br)c1
InChIInChI=1S/C13H20BrFOSi/c1-13(2,3)17(4,5)16-9-10-6-7-12(15)11(14)8-10/h6-8H,9H2,1-5H3
InChIKeyHMZDCJNPEKOOKB-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.29
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-bromo-4-fluorophenyl)methoxy-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 (3-bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (3-bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane (CID 20785462) is (3-bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (3-bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (3-bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is HMZDCJNPEKOOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFOSi/c1-13(2,3)17(4,5)16-9-10-6-7-12(15)11(14)8-10/h6-8H,9H2,1-5H3.
What are the key properties of (3-bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane?
(3-bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 319.29 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 20785462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).