tert-butyl-[(3-chloro-4-fluorophenyl)methoxy]-diphenylsilane

C23H24ClFOSi — CID 141266258

IUPACtert-butyl-[(3-chloro-4-fluorophenyl)methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCc1ccc(F)c(Cl)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24ClFOSi/c1-23(2,3)27(19-10-6-4-7-11-19,20-12-8-5-9-13-20)26-17-18-14-15-22(25)21(24)16-18/h4-16H,17H2,1-3H3
InChIKeyKLSNWCWQPVMZIM-UHFFFAOYSA-N
MW398.98 g/mol
LogP5.56
Rot. Bonds5

About tert-butyl-[(3-chloro-4-fluorophenyl)methoxy]-diphenylsilane

tert-butyl-[(3-chloro-4-fluorophenyl)methoxy]-diphenylsilane (PubChem CID 141266258) has the molecular formula C23H24ClFOSi and a molecular weight of 398.98 g/mol. Its IUPAC name is tert-butyl-[(3-chloro-4-fluorophenyl)methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3-chloro-4-fluorophenyl)methoxy]-diphenylsilane
PubChem CID141266258
Molecular FormulaC23H24ClFOSi
Molecular Weight398.98 g/mol
Exact Mass398.13
IUPAC Nametert-butyl-[(3-chloro-4-fluorophenyl)methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCc1ccc(F)c(Cl)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24ClFOSi/c1-23(2,3)27(19-10-6-4-7-11-19,20-12-8-5-9-13-20)26-17-18-14-15-22(25)21(24)16-18/h4-16H,17H2,1-3H3
InChIKeyKLSNWCWQPVMZIM-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.98
LogP ≤ 55.56
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 tert-butyl-[(3-chloro-4-fluorophenyl)methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(3-chloro-4-fluorophenyl)methoxy]-diphenylsilane (CID 141266258) is tert-butyl-[(3-chloro-4-fluorophenyl)methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3-chloro-4-fluorophenyl)methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(3-chloro-4-fluorophenyl)methoxy]-diphenylsilane is CC(C)(C)[Si](OCc1ccc(F)c(Cl)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(3-chloro-4-fluorophenyl)methoxy]-diphenylsilane?
The InChIKey is KLSNWCWQPVMZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFOSi/c1-23(2,3)27(19-10-6-4-7-11-19,20-12-8-5-9-13-20)26-17-18-14-15-22(25)21(24)16-18/h4-16H,17H2,1-3H3.
What are the key properties of tert-butyl-[(3-chloro-4-fluorophenyl)methoxy]-diphenylsilane?
tert-butyl-[(3-chloro-4-fluorophenyl)methoxy]-diphenylsilane has a molecular weight of 398.98 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3-chloro-4-fluorophenyl)methoxy]-diphenylsilane is sourced from PubChem (CID 141266258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).