tert-butyl-(2,3-difluorophenoxy)-dimethylsilane

C12H18F2OSi — CID 68643642

IUPACtert-butyl-(2,3-difluorophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(F)c1F
InChIInChI=1S/C12H18F2OSi/c1-12(2,3)16(4,5)15-10-8-6-7-9(13)11(10)14/h6-8H,1-5H3
InChIKeyVXWZXJKRFQOWNR-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.35
Rot. Bonds2

About tert-butyl-(2,3-difluorophenoxy)-dimethylsilane

tert-butyl-(2,3-difluorophenoxy)-dimethylsilane (PubChem CID 68643642) has the molecular formula C12H18F2OSi and a molecular weight of 244.36 g/mol. Its IUPAC name is tert-butyl-(2,3-difluorophenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2,3-difluorophenoxy)-dimethylsilane
PubChem CID68643642
Molecular FormulaC12H18F2OSi
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Nametert-butyl-(2,3-difluorophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(F)c1F
InChIInChI=1S/C12H18F2OSi/c1-12(2,3)16(4,5)15-10-8-6-7-9(13)11(10)14/h6-8H,1-5H3
InChIKeyVXWZXJKRFQOWNR-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.35
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-(2,3-difluorophenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(2,3-difluorophenoxy)-dimethylsilane (CID 68643642) is tert-butyl-(2,3-difluorophenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2,3-difluorophenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(2,3-difluorophenoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cccc(F)c1F.
What is the InChIKey of tert-butyl-(2,3-difluorophenoxy)-dimethylsilane?
The InChIKey is VXWZXJKRFQOWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2OSi/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-(2,3-difluorophenoxy)-dimethylsilane?
tert-butyl-(2,3-difluorophenoxy)-dimethylsilane has a molecular weight of 244.36 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2,3-difluorophenoxy)-dimethylsilane is sourced from PubChem (CID 68643642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).