tert-butyl-(3-chloro-2-fluorophenoxy)-dimethylsilane

C12H18ClFOSi — CID 125115833

IUPACtert-butyl-(3-chloro-2-fluorophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(Cl)c1F
InChIInChI=1S/C12H18ClFOSi/c1-12(2,3)16(4,5)15-10-8-6-7-9(13)11(10)14/h6-8H,1-5H3
InChIKeyAPSWLEIWWDTICV-UHFFFAOYSA-N
MW260.81 g/mol
LogP4.86
Rot. Bonds2

About tert-butyl-(3-chloro-2-fluorophenoxy)-dimethylsilane

tert-butyl-(3-chloro-2-fluorophenoxy)-dimethylsilane (PubChem CID 125115833) has the molecular formula C12H18ClFOSi and a molecular weight of 260.81 g/mol. Its IUPAC name is tert-butyl-(3-chloro-2-fluorophenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-chloro-2-fluorophenoxy)-dimethylsilane
PubChem CID125115833
Molecular FormulaC12H18ClFOSi
Molecular Weight260.81 g/mol
Exact Mass260.08
IUPAC Nametert-butyl-(3-chloro-2-fluorophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(Cl)c1F
InChIInChI=1S/C12H18ClFOSi/c1-12(2,3)16(4,5)15-10-8-6-7-9(13)11(10)14/h6-8H,1-5H3
InChIKeyAPSWLEIWWDTICV-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 54.86
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-2-fluorophenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(3-chloro-2-fluorophenoxy)-dimethylsilane (CID 125115833) is tert-butyl-(3-chloro-2-fluorophenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-chloro-2-fluorophenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(3-chloro-2-fluorophenoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cccc(Cl)c1F.
What is the InChIKey of tert-butyl-(3-chloro-2-fluorophenoxy)-dimethylsilane?
The InChIKey is APSWLEIWWDTICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFOSi/c1-12(2,3)16(4,5)15-10-8-6-7-9(13)11(10)14/h6-8H,1-5H3.
What are the key properties of tert-butyl-(3-chloro-2-fluorophenoxy)-dimethylsilane?
tert-butyl-(3-chloro-2-fluorophenoxy)-dimethylsilane has a molecular weight of 260.81 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-chloro-2-fluorophenoxy)-dimethylsilane is sourced from PubChem (CID 125115833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).