3-bromobutyl(trichloro)silane

C4H8BrCl3Si — CID 134993257

IUPAC3-bromobutyl(trichloro)silane
SMILESCC(Br)CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C4H8BrCl3Si/c1-4(5)2-3-9(6,7)8/h4H,2-3H2,1H3
InChIKeyBFWPMNSAAMNLNV-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.82
Rot. Bonds3

About 3-bromobutyl(trichloro)silane

3-bromobutyl(trichloro)silane (PubChem CID 134993257) has the molecular formula C4H8BrCl3Si and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-bromobutyl(trichloro)silane.

Molecular Properties

Compound Name3-bromobutyl(trichloro)silane
PubChem CID134993257
Molecular FormulaC4H8BrCl3Si
Molecular Weight270.46 g/mol
Exact Mass267.86
IUPAC Name3-bromobutyl(trichloro)silane
SMILESCC(Br)CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C4H8BrCl3Si/c1-4(5)2-3-9(6,7)8/h4H,2-3H2,1H3
InChIKeyBFWPMNSAAMNLNV-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.82
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 3-bromobutyl(trichloro)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 3-bromobutyl(trichloro)silane?
The IUPAC name of 3-bromobutyl(trichloro)silane (CID 134993257) is 3-bromobutyl(trichloro)silane.
What is the SMILES notation for 3-bromobutyl(trichloro)silane?
The canonical SMILES for 3-bromobutyl(trichloro)silane is CC(Br)CC[Si](Cl)(Cl)Cl.
What is the InChIKey of 3-bromobutyl(trichloro)silane?
The InChIKey is BFWPMNSAAMNLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrCl3Si/c1-4(5)2-3-9(6,7)8/h4H,2-3H2,1H3.
What are the key properties of 3-bromobutyl(trichloro)silane?
3-bromobutyl(trichloro)silane has a molecular weight of 270.46 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromobutyl(trichloro)silane is sourced from PubChem (CID 134993257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).