tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane

C13H20F2OSi — CID 154720097

IUPACtert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cc(F)cc(F)c1
InChIInChI=1S/C13H20F2OSi/c1-13(2,3)17(4,5)16-9-10-6-11(14)8-12(15)7-10/h6-8H,9H2,1-5H3
InChIKeyLAKKSBHICWVUSX-UHFFFAOYSA-N
MW258.38 g/mol
LogP4.49
Rot. Bonds3

About tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane

tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane (PubChem CID 154720097) has the molecular formula C13H20F2OSi and a molecular weight of 258.38 g/mol. Its IUPAC name is tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane
PubChem CID154720097
Molecular FormulaC13H20F2OSi
Molecular Weight258.38 g/mol
Exact Mass258.13
IUPAC Nametert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cc(F)cc(F)c1
InChIInChI=1S/C13H20F2OSi/c1-13(2,3)17(4,5)16-9-10-6-11(14)8-12(15)7-10/h6-8H,9H2,1-5H3
InChIKeyLAKKSBHICWVUSX-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane (CID 154720097) is tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cc(F)cc(F)c1.
What is the InChIKey of tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane?
The InChIKey is LAKKSBHICWVUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2OSi/c1-13(2,3)17(4,5)16-9-10-6-11(14)8-12(15)7-10/h6-8H,9H2,1-5H3.
What are the key properties of tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane?
tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane has a molecular weight of 258.38 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane is sourced from PubChem (CID 154720097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).