2-(2-bromo-4-chloro-3-fluorophenyl)ethoxy-tert-butyl-dimethylsilane

C14H21BrClFOSi — CID 131745379

IUPAC2-(2-bromo-4-chloro-3-fluorophenyl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCc1ccc(Cl)c(F)c1Br
InChIInChI=1S/C14H21BrClFOSi/c1-14(2,3)19(4,5)18-9-8-10-6-7-11(16)13(17)12(10)15/h6-7H,8-9H2,1-5H3
InChIKeyYUIPBYCCRYRZHL-UHFFFAOYSA-N
MW367.76 g/mol
LogP5.81
Rot. Bonds4

About 2-(2-bromo-4-chloro-3-fluorophenyl)ethoxy-tert-butyl-dimethylsilane

2-(2-bromo-4-chloro-3-fluorophenyl)ethoxy-tert-butyl-dimethylsilane (PubChem CID 131745379) has the molecular formula C14H21BrClFOSi and a molecular weight of 367.76 g/mol. Its IUPAC name is 2-(2-bromo-4-chloro-3-fluorophenyl)ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-(2-bromo-4-chloro-3-fluorophenyl)ethoxy-tert-butyl-dimethylsilane
PubChem CID131745379
Molecular FormulaC14H21BrClFOSi
Molecular Weight367.76 g/mol
Exact Mass366.02
IUPAC Name2-(2-bromo-4-chloro-3-fluorophenyl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCc1ccc(Cl)c(F)c1Br
InChIInChI=1S/C14H21BrClFOSi/c1-14(2,3)19(4,5)18-9-8-10-6-7-11(16)13(17)12(10)15/h6-7H,8-9H2,1-5H3
InChIKeyYUIPBYCCRYRZHL-UHFFFAOYSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.76
LogP ≤ 55.81
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloro-3-fluorophenyl)ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-(2-bromo-4-chloro-3-fluorophenyl)ethoxy-tert-butyl-dimethylsilane (CID 131745379) is 2-(2-bromo-4-chloro-3-fluorophenyl)ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-(2-bromo-4-chloro-3-fluorophenyl)ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-(2-bromo-4-chloro-3-fluorophenyl)ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCc1ccc(Cl)c(F)c1Br.
What is the InChIKey of 2-(2-bromo-4-chloro-3-fluorophenyl)ethoxy-tert-butyl-dimethylsilane?
The InChIKey is YUIPBYCCRYRZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClFOSi/c1-14(2,3)19(4,5)18-9-8-10-6-7-11(16)13(17)12(10)15/h6-7H,8-9H2,1-5H3.
What are the key properties of 2-(2-bromo-4-chloro-3-fluorophenyl)ethoxy-tert-butyl-dimethylsilane?
2-(2-bromo-4-chloro-3-fluorophenyl)ethoxy-tert-butyl-dimethylsilane has a molecular weight of 367.76 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloro-3-fluorophenyl)ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 131745379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).