[[4-(diethoxymethyl)phenyl]-difluoromethyl]-trimethylsilane

C15H24F2O2Si — CID 166446249

IUPAC[[4-(diethoxymethyl)phenyl]-difluoromethyl]-trimethylsilane
SMILESCCOC(OCC)c1ccc(C(F)(F)[Si](C)(C)C)cc1
InChIInChI=1S/C15H24F2O2Si/c1-6-18-14(19-7-2)12-8-10-13(11-9-12)15(16,17)20(3,4)5/h8-11,14H,6-7H2,1-5H3
InChIKeyBMGMYXNDIPCJHE-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.73
Rot. Bonds7

About [[4-(diethoxymethyl)phenyl]-difluoromethyl]-trimethylsilane

[[4-(diethoxymethyl)phenyl]-difluoromethyl]-trimethylsilane (PubChem CID 166446249) has the molecular formula C15H24F2O2Si and a molecular weight of 302.44 g/mol. Its IUPAC name is [[4-(diethoxymethyl)phenyl]-difluoromethyl]-trimethylsilane.

Molecular Properties

Compound Name[[4-(diethoxymethyl)phenyl]-difluoromethyl]-trimethylsilane
PubChem CID166446249
Molecular FormulaC15H24F2O2Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name[[4-(diethoxymethyl)phenyl]-difluoromethyl]-trimethylsilane
SMILESCCOC(OCC)c1ccc(C(F)(F)[Si](C)(C)C)cc1
InChIInChI=1S/C15H24F2O2Si/c1-6-18-14(19-7-2)12-8-10-13(11-9-12)15(16,17)20(3,4)5/h8-11,14H,6-7H2,1-5H3
InChIKeyBMGMYXNDIPCJHE-UHFFFAOYSA-N
XLogP4.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [[4-(diethoxymethyl)phenyl]-difluoromethyl]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Diethoxymethyl)benzene
CID 69884
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
Benzene, 1-(dimethoxymethyl)-4-methyl-
CID 76932
1-(Dimethoxymethyl)-2-fluorobenzene
CID 11426732
p-(Diethoxymethyl)toluene
CID 75469
(Dibutoxymethyl)benzene
CID 219171
Terephthalaldehyde Bis(diethyl Acetal)
CID 44719720
[Bis(3-methylbutoxy)methyl]benzene
CID 3024081
Benzyloxyacetaldehyde diethyl acetal
CID 4321487
1,4-Bis(dimethoxymethyl)benzene
CID 3015946
Benzene, ((1-ethoxyethoxy)methyl)-
CID 6455283
4-(Trifluoromethyl)benzylethyl ether
CID 11016877

Frequently Asked Questions

What is the IUPAC name of [[4-(diethoxymethyl)phenyl]-difluoromethyl]-trimethylsilane?
The IUPAC name of [[4-(diethoxymethyl)phenyl]-difluoromethyl]-trimethylsilane (CID 166446249) is [[4-(diethoxymethyl)phenyl]-difluoromethyl]-trimethylsilane.
What is the SMILES notation for [[4-(diethoxymethyl)phenyl]-difluoromethyl]-trimethylsilane?
The canonical SMILES for [[4-(diethoxymethyl)phenyl]-difluoromethyl]-trimethylsilane is CCOC(OCC)c1ccc(C(F)(F)[Si](C)(C)C)cc1.
What is the InChIKey of [[4-(diethoxymethyl)phenyl]-difluoromethyl]-trimethylsilane?
The InChIKey is BMGMYXNDIPCJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O2Si/c1-6-18-14(19-7-2)12-8-10-13(11-9-12)15(16,17)20(3,4)5/h8-11,14H,6-7H2,1-5H3.
What are the key properties of [[4-(diethoxymethyl)phenyl]-difluoromethyl]-trimethylsilane?
[[4-(diethoxymethyl)phenyl]-difluoromethyl]-trimethylsilane has a molecular weight of 302.44 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(diethoxymethyl)phenyl]-difluoromethyl]-trimethylsilane is sourced from PubChem (CID 166446249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).