tert-butyl-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-dimethylsilane

C15H24F2OSi — CID 56998132

IUPACtert-butyl-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-dimethylsilane
SMILESCc1ccccc1C(O[Si](C)(C)C(C)(C)C)C(F)F
InChIInChI=1S/C15H24F2OSi/c1-11-9-7-8-10-12(11)13(14(16)17)18-19(5,6)15(2,3)4/h7-10,13-14H,1-6H3
InChIKeyRQYCVDUVWQIUNQ-UHFFFAOYSA-N
MW286.44 g/mol
LogP5.32
Rot. Bonds4

About tert-butyl-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-dimethylsilane

tert-butyl-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-dimethylsilane (PubChem CID 56998132) has the molecular formula C15H24F2OSi and a molecular weight of 286.44 g/mol. Its IUPAC name is tert-butyl-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-dimethylsilane
PubChem CID56998132
Molecular FormulaC15H24F2OSi
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Nametert-butyl-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-dimethylsilane
SMILESCc1ccccc1C(O[Si](C)(C)C(C)(C)C)C(F)F
InChIInChI=1S/C15H24F2OSi/c1-11-9-7-8-10-12(11)13(14(16)17)18-19(5,6)15(2,3)4/h7-10,13-14H,1-6H3
InChIKeyRQYCVDUVWQIUNQ-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.44
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-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-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-dimethylsilane (CID 56998132) is tert-butyl-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-dimethylsilane is Cc1ccccc1C(O[Si](C)(C)C(C)(C)C)C(F)F.
What is the InChIKey of tert-butyl-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-dimethylsilane?
The InChIKey is RQYCVDUVWQIUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2OSi/c1-11-9-7-8-10-12(11)13(14(16)17)18-19(5,6)15(2,3)4/h7-10,13-14H,1-6H3.
What are the key properties of tert-butyl-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-dimethylsilane?
tert-butyl-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-dimethylsilane has a molecular weight of 286.44 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2,2-difluoro-1-(2-methylphenyl)ethoxy]-dimethylsilane is sourced from PubChem (CID 56998132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).