2,2-dichloroethoxy(fluoro)silane

C2H5Cl2FOSi — CID 173136270

IUPAC2,2-dichloroethoxy(fluoro)silane
SMILESF[SiH2]OCC(Cl)Cl
InChIInChI=1S/C2H5Cl2FOSi/c3-2(4)1-6-7-5/h2H,1,7H2
InChIKeyINPKFORFTIXNCD-UHFFFAOYSA-N
MW163.05 g/mol
LogP0.77
Rot. Bonds3

About 2,2-dichloroethoxy(fluoro)silane

2,2-dichloroethoxy(fluoro)silane (PubChem CID 173136270) has the molecular formula C2H5Cl2FOSi and a molecular weight of 163.05 g/mol. Its IUPAC name is 2,2-dichloroethoxy(fluoro)silane.

Molecular Properties

Compound Name2,2-dichloroethoxy(fluoro)silane
PubChem CID173136270
Molecular FormulaC2H5Cl2FOSi
Molecular Weight163.05 g/mol
Exact Mass161.95
IUPAC Name2,2-dichloroethoxy(fluoro)silane
SMILESF[SiH2]OCC(Cl)Cl
InChIInChI=1S/C2H5Cl2FOSi/c3-2(4)1-6-7-5/h2H,1,7H2
InChIKeyINPKFORFTIXNCD-UHFFFAOYSA-N
XLogP0.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.05
LogP ≤ 50.77
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze 2,2-dichloroethoxy(fluoro)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 2,2-dichloroethoxy(fluoro)silane?
The IUPAC name of 2,2-dichloroethoxy(fluoro)silane (CID 173136270) is 2,2-dichloroethoxy(fluoro)silane.
What is the SMILES notation for 2,2-dichloroethoxy(fluoro)silane?
The canonical SMILES for 2,2-dichloroethoxy(fluoro)silane is F[SiH2]OCC(Cl)Cl.
What is the InChIKey of 2,2-dichloroethoxy(fluoro)silane?
The InChIKey is INPKFORFTIXNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Cl2FOSi/c3-2(4)1-6-7-5/h2H,1,7H2.
What are the key properties of 2,2-dichloroethoxy(fluoro)silane?
2,2-dichloroethoxy(fluoro)silane has a molecular weight of 163.05 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethoxy(fluoro)silane is sourced from PubChem (CID 173136270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).