2-bromoethyl-dichloro-methylsilane

C3H7BrCl2Si — CID 54494606

IUPAC2-bromoethyl-dichloro-methylsilane
SMILESC[Si](Cl)(Cl)CCBr
InChIInChI=1S/C3H7BrCl2Si/c1-7(5,6)3-2-4/h2-3H2,1H3
InChIKeyXYDXAENDVVTXJU-UHFFFAOYSA-N
MW221.98 g/mol
LogP2.93
Rot. Bonds2

About 2-bromoethyl-dichloro-methylsilane

2-bromoethyl-dichloro-methylsilane (PubChem CID 54494606) has the molecular formula C3H7BrCl2Si and a molecular weight of 221.98 g/mol. Its IUPAC name is 2-bromoethyl-dichloro-methylsilane.

Molecular Properties

Compound Name2-bromoethyl-dichloro-methylsilane
PubChem CID54494606
Molecular FormulaC3H7BrCl2Si
Molecular Weight221.98 g/mol
Exact Mass219.89
IUPAC Name2-bromoethyl-dichloro-methylsilane
SMILESC[Si](Cl)(Cl)CCBr
InChIInChI=1S/C3H7BrCl2Si/c1-7(5,6)3-2-4/h2-3H2,1H3
InChIKeyXYDXAENDVVTXJU-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.98
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-bromoethyl-dichloro-methylsilane 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-bromoethyl-dichloro-methylsilane?
The IUPAC name of 2-bromoethyl-dichloro-methylsilane (CID 54494606) is 2-bromoethyl-dichloro-methylsilane.
What is the SMILES notation for 2-bromoethyl-dichloro-methylsilane?
The canonical SMILES for 2-bromoethyl-dichloro-methylsilane is C[Si](Cl)(Cl)CCBr.
What is the InChIKey of 2-bromoethyl-dichloro-methylsilane?
The InChIKey is XYDXAENDVVTXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BrCl2Si/c1-7(5,6)3-2-4/h2-3H2,1H3.
What are the key properties of 2-bromoethyl-dichloro-methylsilane?
2-bromoethyl-dichloro-methylsilane has a molecular weight of 221.98 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl-dichloro-methylsilane is sourced from PubChem (CID 54494606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).