(2-bromo-4-chloro-6-fluorophenoxy)-tert-butyl-dimethylsilane

C12H17BrClFOSi — CID 167716543

IUPAC(2-bromo-4-chloro-6-fluorophenoxy)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1c(F)cc(Cl)cc1Br
InChIInChI=1S/C12H17BrClFOSi/c1-12(2,3)17(4,5)16-11-9(13)6-8(14)7-10(11)15/h6-7H,1-5H3
InChIKeyFGBXRLWVNXZESP-UHFFFAOYSA-N
MW339.71 g/mol
LogP5.63
Rot. Bonds2

About (2-bromo-4-chloro-6-fluorophenoxy)-tert-butyl-dimethylsilane

(2-bromo-4-chloro-6-fluorophenoxy)-tert-butyl-dimethylsilane (PubChem CID 167716543) has the molecular formula C12H17BrClFOSi and a molecular weight of 339.71 g/mol. Its IUPAC name is (2-bromo-4-chloro-6-fluorophenoxy)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-bromo-4-chloro-6-fluorophenoxy)-tert-butyl-dimethylsilane
PubChem CID167716543
Molecular FormulaC12H17BrClFOSi
Molecular Weight339.71 g/mol
Exact Mass337.99
IUPAC Name(2-bromo-4-chloro-6-fluorophenoxy)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1c(F)cc(Cl)cc1Br
InChIInChI=1S/C12H17BrClFOSi/c1-12(2,3)17(4,5)16-11-9(13)6-8(14)7-10(11)15/h6-7H,1-5H3
InChIKeyFGBXRLWVNXZESP-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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chloro-6-fluorophenoxy)-tert-butyl-dimethylsilane?
The IUPAC name of (2-bromo-4-chloro-6-fluorophenoxy)-tert-butyl-dimethylsilane (CID 167716543) is (2-bromo-4-chloro-6-fluorophenoxy)-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-bromo-4-chloro-6-fluorophenoxy)-tert-butyl-dimethylsilane?
The canonical SMILES for (2-bromo-4-chloro-6-fluorophenoxy)-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1c(F)cc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4-chloro-6-fluorophenoxy)-tert-butyl-dimethylsilane?
The InChIKey is FGBXRLWVNXZESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClFOSi/c1-12(2,3)17(4,5)16-11-9(13)6-8(14)7-10(11)15/h6-7H,1-5H3.
What are the key properties of (2-bromo-4-chloro-6-fluorophenoxy)-tert-butyl-dimethylsilane?
(2-bromo-4-chloro-6-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 (2-bromo-4-chloro-6-fluorophenoxy)-tert-butyl-dimethylsilane is sourced from PubChem (CID 167716543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).