bromo-dimethoxy-(2,2,2-trifluoroethyl)silane

C4H8BrF3O2Si — CID 87214032

IUPACbromo-dimethoxy-(2,2,2-trifluoroethyl)silane
SMILESCO[Si](Br)(CC(F)(F)F)OC
InChIInChI=1S/C4H8BrF3O2Si/c1-9-11(5,10-2)3-4(6,7)8/h3H2,1-2H3
InChIKeyPZWOPTAJKGZRDT-UHFFFAOYSA-N
MW253.09 g/mol
LogP2.18
Rot. Bonds3

About bromo-dimethoxy-(2,2,2-trifluoroethyl)silane

bromo-dimethoxy-(2,2,2-trifluoroethyl)silane (PubChem CID 87214032) has the molecular formula C4H8BrF3O2Si and a molecular weight of 253.09 g/mol. Its IUPAC name is bromo-dimethoxy-(2,2,2-trifluoroethyl)silane.

Molecular Properties

Compound Namebromo-dimethoxy-(2,2,2-trifluoroethyl)silane
PubChem CID87214032
Molecular FormulaC4H8BrF3O2Si
Molecular Weight253.09 g/mol
Exact Mass251.94
IUPAC Namebromo-dimethoxy-(2,2,2-trifluoroethyl)silane
SMILESCO[Si](Br)(CC(F)(F)F)OC
InChIInChI=1S/C4H8BrF3O2Si/c1-9-11(5,10-2)3-4(6,7)8/h3H2,1-2H3
InChIKeyPZWOPTAJKGZRDT-UHFFFAOYSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bromo-dimethoxy-(2,2,2-trifluoroethyl)silane 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 bromo-dimethoxy-(2,2,2-trifluoroethyl)silane?
The IUPAC name of bromo-dimethoxy-(2,2,2-trifluoroethyl)silane (CID 87214032) is bromo-dimethoxy-(2,2,2-trifluoroethyl)silane.
What is the SMILES notation for bromo-dimethoxy-(2,2,2-trifluoroethyl)silane?
The canonical SMILES for bromo-dimethoxy-(2,2,2-trifluoroethyl)silane is CO[Si](Br)(CC(F)(F)F)OC.
What is the InChIKey of bromo-dimethoxy-(2,2,2-trifluoroethyl)silane?
The InChIKey is PZWOPTAJKGZRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrF3O2Si/c1-9-11(5,10-2)3-4(6,7)8/h3H2,1-2H3.
What are the key properties of bromo-dimethoxy-(2,2,2-trifluoroethyl)silane?
bromo-dimethoxy-(2,2,2-trifluoroethyl)silane has a molecular weight of 253.09 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-dimethoxy-(2,2,2-trifluoroethyl)silane is sourced from PubChem (CID 87214032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).