Tert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane

C21H28F2OSi — CID 176438012

IUPACtert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane
SMILESCC(CC(F)F)CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C
InChIInChI=1S/C21H28F2OSi/c1-17(15-20(22)23)16-24-25(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20H,15-16H2,1-4H3
InChIKeyGWAWRVRPFGTZLV-UHFFFAOYSA-N
MW362.50 g/mol
LogP—
Rot. Bonds8

About Tert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane

Tert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane (PubChem CID 176438012) has the molecular formula C21H28F2OSi and a molecular weight of 362.50 g/mol. Its IUPAC name is tert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane.

Molecular Properties

Compound NameTert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane
PubChem CID176438012
Molecular FormulaC21H28F2OSi
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC Nametert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane
SMILESCC(CC(F)F)CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C
InChIInChI=1S/C21H28F2OSi/c1-17(15-20(22)23)16-24-25(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20H,15-16H2,1-4H3
InChIKeyGWAWRVRPFGTZLV-UHFFFAOYSA-N
XLogP—
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity364

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diphenyldiethoxysilane
CID 75705
Ethoxymethyldiphenylsilane
CID 74576
Silane, (1,1-dimethylethyl)diphenyl(2-propynyloxy)-
CID 610226
Diphenylvinylethoxysilane
CID 87366
Tert-butyl(3-iodopropoxy)diphenylsilane
CID 11177744
Tert-butyl(2-iodoethoxy)diphenylsilane
CID 11269862
Tert-butyl-cyclopentyloxy-diphenylsilane
CID 85767200
Dibutoxy(diphenyl)silane
CID 13637536
Diphenyl-dipropoxy-silane
CID 14324871
Dimethyl-phenyl-(2,2,2-trifluoroethoxy)silane
CID 14917442
[(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane
CID 102071297
tert-Butyl(hexyloxy)diphenylsilane
CID 11338517

Frequently Asked Questions

What is the IUPAC name of Tert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane?
The IUPAC name of Tert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane (CID 176438012) is tert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane.
What is the SMILES notation for Tert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane?
The canonical SMILES for Tert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane is CC(CC(F)F)CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C.
What is the InChIKey of Tert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane?
The InChIKey is GWAWRVRPFGTZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2OSi/c1-17(15-20(22)23)16-24-25(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20H,15-16H2,1-4H3.
What are the key properties of Tert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane?
Tert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane has a molecular weight of 362.50 g/mol, XLogP of not available, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl-(4,4-difluoro-2-methylbutoxy)-diphenylsilane is sourced from PubChem (CID 176438012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).