(4-bromo-2-chloro-5-fluorophenyl)methoxy-tert-butyl-dimethylsilane

C13H19BrClFOSi — CID 90029727

IUPAC(4-bromo-2-chloro-5-fluorophenyl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cc(F)c(Br)cc1Cl
InChIInChI=1S/C13H19BrClFOSi/c1-13(2,3)18(4,5)17-8-9-6-12(16)10(14)7-11(9)15/h6-7H,8H2,1-5H3
InChIKeyDVAXFPJJVRMYKJ-UHFFFAOYSA-N
MW353.74 g/mol
LogP5.76
Rot. Bonds3

About (4-bromo-2-chloro-5-fluorophenyl)methoxy-tert-butyl-dimethylsilane

(4-bromo-2-chloro-5-fluorophenyl)methoxy-tert-butyl-dimethylsilane (PubChem CID 90029727) has the molecular formula C13H19BrClFOSi and a molecular weight of 353.74 g/mol. Its IUPAC name is (4-bromo-2-chloro-5-fluorophenyl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(4-bromo-2-chloro-5-fluorophenyl)methoxy-tert-butyl-dimethylsilane
PubChem CID90029727
Molecular FormulaC13H19BrClFOSi
Molecular Weight353.74 g/mol
Exact Mass352.01
IUPAC Name(4-bromo-2-chloro-5-fluorophenyl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cc(F)c(Br)cc1Cl
InChIInChI=1S/C13H19BrClFOSi/c1-13(2,3)18(4,5)17-8-9-6-12(16)10(14)7-11(9)15/h6-7H,8H2,1-5H3
InChIKeyDVAXFPJJVRMYKJ-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.74
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chloro-5-fluorophenyl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (4-bromo-2-chloro-5-fluorophenyl)methoxy-tert-butyl-dimethylsilane (CID 90029727) is (4-bromo-2-chloro-5-fluorophenyl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (4-bromo-2-chloro-5-fluorophenyl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (4-bromo-2-chloro-5-fluorophenyl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cc(F)c(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chloro-5-fluorophenyl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is DVAXFPJJVRMYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClFOSi/c1-13(2,3)18(4,5)17-8-9-6-12(16)10(14)7-11(9)15/h6-7H,8H2,1-5H3.
What are the key properties of (4-bromo-2-chloro-5-fluorophenyl)methoxy-tert-butyl-dimethylsilane?
(4-bromo-2-chloro-5-fluorophenyl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 353.74 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chloro-5-fluorophenyl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 90029727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).