diethoxy-methyl-(3,3,3-trifluoropropyl)silane

C8H17F3O2Si — CID 14007317

IUPACdiethoxy-methyl-(3,3,3-trifluoropropyl)silane
SMILESCCO[Si](C)(CCC(F)(F)F)OCC
InChIInChI=1S/C8H17F3O2Si/c1-4-12-14(3,13-5-2)7-6-8(9,10)11/h4-7H2,1-3H3
InChIKeyVJYNTADJZPKUAF-UHFFFAOYSA-N
MW230.30 g/mol
LogP3.08
Rot. Bonds6

About diethoxy-methyl-(3,3,3-trifluoropropyl)silane

diethoxy-methyl-(3,3,3-trifluoropropyl)silane (PubChem CID 14007317) has the molecular formula C8H17F3O2Si and a molecular weight of 230.30 g/mol. Its IUPAC name is diethoxy-methyl-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namediethoxy-methyl-(3,3,3-trifluoropropyl)silane
PubChem CID14007317
Molecular FormulaC8H17F3O2Si
Molecular Weight230.30 g/mol
Exact Mass230.09
IUPAC Namediethoxy-methyl-(3,3,3-trifluoropropyl)silane
SMILESCCO[Si](C)(CCC(F)(F)F)OCC
InChIInChI=1S/C8H17F3O2Si/c1-4-12-14(3,13-5-2)7-6-8(9,10)11/h4-7H2,1-3H3
InChIKeyVJYNTADJZPKUAF-UHFFFAOYSA-N
XLogP3.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diethoxy-methyl-(3,3,3-trifluoropropyl)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-(3,3,3-trifluoropropyl)silane?
The IUPAC name of diethoxy-methyl-(3,3,3-trifluoropropyl)silane (CID 14007317) is diethoxy-methyl-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for diethoxy-methyl-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for diethoxy-methyl-(3,3,3-trifluoropropyl)silane is CCO[Si](C)(CCC(F)(F)F)OCC.
What is the InChIKey of diethoxy-methyl-(3,3,3-trifluoropropyl)silane?
The InChIKey is VJYNTADJZPKUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3O2Si/c1-4-12-14(3,13-5-2)7-6-8(9,10)11/h4-7H2,1-3H3.
What are the key properties of diethoxy-methyl-(3,3,3-trifluoropropyl)silane?
diethoxy-methyl-(3,3,3-trifluoropropyl)silane has a molecular weight of 230.30 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 14007317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).