(3-bromo-5-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane

C12H17BrClFOSi — CID 167716733

IUPAC(3-bromo-5-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc(Cl)c(F)c(Br)c1
InChIInChI=1S/C12H17BrClFOSi/c1-12(2,3)17(4,5)16-8-6-9(13)11(15)10(14)7-8/h6-7H,1-5H3
InChIKeyQLKORITVVFZCHT-UHFFFAOYSA-N
MW339.71 g/mol
LogP5.63
Rot. Bonds2

About (3-bromo-5-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane

(3-bromo-5-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane (PubChem CID 167716733) has the molecular formula C12H17BrClFOSi and a molecular weight of 339.71 g/mol. Its IUPAC name is (3-bromo-5-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(3-bromo-5-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane
PubChem CID167716733
Molecular FormulaC12H17BrClFOSi
Molecular Weight339.71 g/mol
Exact Mass337.99
IUPAC Name(3-bromo-5-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc(Cl)c(F)c(Br)c1
InChIInChI=1S/C12H17BrClFOSi/c1-12(2,3)17(4,5)16-8-6-9(13)11(15)10(14)7-8/h6-7H,1-5H3
InChIKeyQLKORITVVFZCHT-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.71
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3-bromo-5-chloro-4-fluorophenoxy)-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-5-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane?
The IUPAC name of (3-bromo-5-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane (CID 167716733) is (3-bromo-5-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane.
What is the SMILES notation for (3-bromo-5-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane?
The canonical SMILES for (3-bromo-5-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cc(Cl)c(F)c(Br)c1.
What is the InChIKey of (3-bromo-5-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane?
The InChIKey is QLKORITVVFZCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClFOSi/c1-12(2,3)17(4,5)16-8-6-9(13)11(15)10(14)7-8/h6-7H,1-5H3.
What are the key properties of (3-bromo-5-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane?
(3-bromo-5-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane has a molecular weight of 339.71 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane is sourced from PubChem (CID 167716733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).