(2-bromo-2,2-difluoroethoxy)-tert-butyl-dimethylsilane

C8H17BrF2OSi — CID 171338334

IUPAC(2-bromo-2,2-difluoroethoxy)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)Br
InChIInChI=1S/C8H17BrF2OSi/c1-7(2,3)13(4,5)12-6-8(9,10)11/h6H2,1-5H3
InChIKeyZAGAQPOZCXBBCY-UHFFFAOYSA-N
MW275.21 g/mol
LogP4.00
Rot. Bonds3

About (2-bromo-2,2-difluoroethoxy)-tert-butyl-dimethylsilane

(2-bromo-2,2-difluoroethoxy)-tert-butyl-dimethylsilane (PubChem CID 171338334) has the molecular formula C8H17BrF2OSi and a molecular weight of 275.21 g/mol. Its IUPAC name is (2-bromo-2,2-difluoroethoxy)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-bromo-2,2-difluoroethoxy)-tert-butyl-dimethylsilane
PubChem CID171338334
Molecular FormulaC8H17BrF2OSi
Molecular Weight275.21 g/mol
Exact Mass274.02
IUPAC Name(2-bromo-2,2-difluoroethoxy)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)Br
InChIInChI=1S/C8H17BrF2OSi/c1-7(2,3)13(4,5)12-6-8(9,10)11/h6H2,1-5H3
InChIKeyZAGAQPOZCXBBCY-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-bromo-2,2-difluoroethoxy)-tert-butyl-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 (2-bromo-2,2-difluoroethoxy)-tert-butyl-dimethylsilane?
The IUPAC name of (2-bromo-2,2-difluoroethoxy)-tert-butyl-dimethylsilane (CID 171338334) is (2-bromo-2,2-difluoroethoxy)-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-bromo-2,2-difluoroethoxy)-tert-butyl-dimethylsilane?
The canonical SMILES for (2-bromo-2,2-difluoroethoxy)-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC(F)(F)Br.
What is the InChIKey of (2-bromo-2,2-difluoroethoxy)-tert-butyl-dimethylsilane?
The InChIKey is ZAGAQPOZCXBBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrF2OSi/c1-7(2,3)13(4,5)12-6-8(9,10)11/h6H2,1-5H3.
What are the key properties of (2-bromo-2,2-difluoroethoxy)-tert-butyl-dimethylsilane?
(2-bromo-2,2-difluoroethoxy)-tert-butyl-dimethylsilane has a molecular weight of 275.21 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-2,2-difluoroethoxy)-tert-butyl-dimethylsilane is sourced from PubChem (CID 171338334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).