diethoxy-methyl-[4-(trifluoromethyl)phenyl]silane

C12H17F3O2Si — CID 15259161

IUPACdiethoxy-methyl-[4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](C)(OCC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H17F3O2Si/c1-4-16-18(3,17-5-2)11-8-6-10(7-9-11)12(13,14)15/h6-9H,4-5H2,1-3H3
InChIKeyOSFTWPREQSDODP-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.06
Rot. Bonds5

About diethoxy-methyl-[4-(trifluoromethyl)phenyl]silane

diethoxy-methyl-[4-(trifluoromethyl)phenyl]silane (PubChem CID 15259161) has the molecular formula C12H17F3O2Si and a molecular weight of 278.35 g/mol. Its IUPAC name is diethoxy-methyl-[4-(trifluoromethyl)phenyl]silane.

Molecular Properties

Compound Namediethoxy-methyl-[4-(trifluoromethyl)phenyl]silane
PubChem CID15259161
Molecular FormulaC12H17F3O2Si
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Namediethoxy-methyl-[4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](C)(OCC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H17F3O2Si/c1-4-16-18(3,17-5-2)11-8-6-10(7-9-11)12(13,14)15/h6-9H,4-5H2,1-3H3
InChIKeyOSFTWPREQSDODP-UHFFFAOYSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diethoxy-methyl-[4-(trifluoromethyl)phenyl]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 diethoxy-methyl-[4-(trifluoromethyl)phenyl]silane?
The IUPAC name of diethoxy-methyl-[4-(trifluoromethyl)phenyl]silane (CID 15259161) is diethoxy-methyl-[4-(trifluoromethyl)phenyl]silane.
What is the SMILES notation for diethoxy-methyl-[4-(trifluoromethyl)phenyl]silane?
The canonical SMILES for diethoxy-methyl-[4-(trifluoromethyl)phenyl]silane is CCO[Si](C)(OCC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of diethoxy-methyl-[4-(trifluoromethyl)phenyl]silane?
The InChIKey is OSFTWPREQSDODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3O2Si/c1-4-16-18(3,17-5-2)11-8-6-10(7-9-11)12(13,14)15/h6-9H,4-5H2,1-3H3.
What are the key properties of diethoxy-methyl-[4-(trifluoromethyl)phenyl]silane?
diethoxy-methyl-[4-(trifluoromethyl)phenyl]silane has a molecular weight of 278.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-[4-(trifluoromethyl)phenyl]silane is sourced from PubChem (CID 15259161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).