tert-butyl-(2,2-difluoro-2-phenylethoxy)-dimethylsilane

C14H22F2OSi — CID 175538495

IUPACtert-butyl-(2,2-difluoro-2-phenylethoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)c1ccccc1
InChIInChI=1S/C14H22F2OSi/c1-13(2,3)18(4,5)17-11-14(15,16)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChIKeyCHXRQJHHWSKAHV-UHFFFAOYSA-N
MW272.41 g/mol
LogP4.80
Rot. Bonds4

About tert-butyl-(2,2-difluoro-2-phenylethoxy)-dimethylsilane

tert-butyl-(2,2-difluoro-2-phenylethoxy)-dimethylsilane (PubChem CID 175538495) has the molecular formula C14H22F2OSi and a molecular weight of 272.41 g/mol. Its IUPAC name is tert-butyl-(2,2-difluoro-2-phenylethoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2,2-difluoro-2-phenylethoxy)-dimethylsilane
PubChem CID175538495
Molecular FormulaC14H22F2OSi
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Nametert-butyl-(2,2-difluoro-2-phenylethoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)c1ccccc1
InChIInChI=1S/C14H22F2OSi/c1-13(2,3)18(4,5)17-11-14(15,16)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChIKeyCHXRQJHHWSKAHV-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 54.80
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-(2,2-difluoro-2-phenylethoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(2,2-difluoro-2-phenylethoxy)-dimethylsilane (CID 175538495) is tert-butyl-(2,2-difluoro-2-phenylethoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2,2-difluoro-2-phenylethoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(2,2-difluoro-2-phenylethoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)OCC(F)(F)c1ccccc1.
What is the InChIKey of tert-butyl-(2,2-difluoro-2-phenylethoxy)-dimethylsilane?
The InChIKey is CHXRQJHHWSKAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2OSi/c1-13(2,3)18(4,5)17-11-14(15,16)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3.
What are the key properties of tert-butyl-(2,2-difluoro-2-phenylethoxy)-dimethylsilane?
tert-butyl-(2,2-difluoro-2-phenylethoxy)-dimethylsilane has a molecular weight of 272.41 g/mol, XLogP of 4.80, 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-2-phenylethoxy)-dimethylsilane is sourced from PubChem (CID 175538495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).