diethoxymethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane

C18H21F3O3Si — CID 154162114

IUPACdiethoxymethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
SMILESCCOC(OCC)O[SiH2]c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H21F3O3Si/c1-3-22-17(23-4-2)24-25-16-11-7-14(8-12-16)13-5-9-15(10-6-13)18(19,20)21/h5-12,17H,3-4,25H2,1-2H3
InChIKeySHWUZBYVTZAUCJ-UHFFFAOYSA-N
MW370.44 g/mol
LogP3.45
Rot. Bonds8

About diethoxymethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane

diethoxymethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane (PubChem CID 154162114) has the molecular formula C18H21F3O3Si and a molecular weight of 370.44 g/mol. Its IUPAC name is diethoxymethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane.

Molecular Properties

Compound Namediethoxymethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
PubChem CID154162114
Molecular FormulaC18H21F3O3Si
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Namediethoxymethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
SMILESCCOC(OCC)O[SiH2]c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H21F3O3Si/c1-3-22-17(23-4-2)24-25-16-11-7-14(8-12-16)13-5-9-15(10-6-13)18(19,20)21/h5-12,17H,3-4,25H2,1-2H3
InChIKeySHWUZBYVTZAUCJ-UHFFFAOYSA-N
XLogP3.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxymethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane?
The IUPAC name of diethoxymethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane (CID 154162114) is diethoxymethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane.
What is the SMILES notation for diethoxymethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane?
The canonical SMILES for diethoxymethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane is CCOC(OCC)O[SiH2]c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of diethoxymethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane?
The InChIKey is SHWUZBYVTZAUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3O3Si/c1-3-22-17(23-4-2)24-25-16-11-7-14(8-12-16)13-5-9-15(10-6-13)18(19,20)21/h5-12,17H,3-4,25H2,1-2H3.
What are the key properties of diethoxymethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane?
diethoxymethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane has a molecular weight of 370.44 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane is sourced from PubChem (CID 154162114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).