tert-butyl-difluoro-(2-methoxy-4-methylphenyl)silane

C12H18F2OSi — CID 71378692

IUPACtert-butyl-difluoro-(2-methoxy-4-methylphenyl)silane
SMILESCOc1cc(C)ccc1[Si](F)(F)C(C)(C)C
InChIInChI=1S/C12H18F2OSi/c1-9-6-7-11(10(8-9)15-5)16(13,14)12(2,3)4/h6-8H,1-5H3
InChIKeyYDLBARLIDRWQKO-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.39
Rot. Bonds2

About tert-butyl-difluoro-(2-methoxy-4-methylphenyl)silane

tert-butyl-difluoro-(2-methoxy-4-methylphenyl)silane (PubChem CID 71378692) has the molecular formula C12H18F2OSi and a molecular weight of 244.36 g/mol. Its IUPAC name is tert-butyl-difluoro-(2-methoxy-4-methylphenyl)silane.

Molecular Properties

Compound Nametert-butyl-difluoro-(2-methoxy-4-methylphenyl)silane
PubChem CID71378692
Molecular FormulaC12H18F2OSi
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Nametert-butyl-difluoro-(2-methoxy-4-methylphenyl)silane
SMILESCOc1cc(C)ccc1[Si](F)(F)C(C)(C)C
InChIInChI=1S/C12H18F2OSi/c1-9-6-7-11(10(8-9)15-5)16(13,14)12(2,3)4/h6-8H,1-5H3
InChIKeyYDLBARLIDRWQKO-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-difluoro-(2-methoxy-4-methylphenyl)silane?
The IUPAC name of tert-butyl-difluoro-(2-methoxy-4-methylphenyl)silane (CID 71378692) is tert-butyl-difluoro-(2-methoxy-4-methylphenyl)silane.
What is the SMILES notation for tert-butyl-difluoro-(2-methoxy-4-methylphenyl)silane?
The canonical SMILES for tert-butyl-difluoro-(2-methoxy-4-methylphenyl)silane is COc1cc(C)ccc1[Si](F)(F)C(C)(C)C.
What is the InChIKey of tert-butyl-difluoro-(2-methoxy-4-methylphenyl)silane?
The InChIKey is YDLBARLIDRWQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2OSi/c1-9-6-7-11(10(8-9)15-5)16(13,14)12(2,3)4/h6-8H,1-5H3.
What are the key properties of tert-butyl-difluoro-(2-methoxy-4-methylphenyl)silane?
tert-butyl-difluoro-(2-methoxy-4-methylphenyl)silane has a molecular weight of 244.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-difluoro-(2-methoxy-4-methylphenyl)silane is sourced from PubChem (CID 71378692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).