diethoxymethoxy-[4-(trifluoromethyl)phenyl]silane

C12H17F3O3Si — CID 154180354

IUPACdiethoxymethoxy-[4-(trifluoromethyl)phenyl]silane
SMILESCCOC(OCC)O[SiH2]c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H17F3O3Si/c1-3-16-11(17-4-2)18-19-10-7-5-9(6-8-10)12(13,14)15/h5-8,11H,3-4,19H2,1-2H3
InChIKeyPBNJENQZPRRAPP-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.79
Rot. Bonds7

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

diethoxymethoxy-[4-(trifluoromethyl)phenyl]silane (PubChem CID 154180354) has the molecular formula C12H17F3O3Si and a molecular weight of 294.35 g/mol. Its IUPAC name is diethoxymethoxy-[4-(trifluoromethyl)phenyl]silane.

Molecular Properties

Compound Namediethoxymethoxy-[4-(trifluoromethyl)phenyl]silane
PubChem CID154180354
Molecular FormulaC12H17F3O3Si
Molecular Weight294.35 g/mol
Exact Mass294.09
IUPAC Namediethoxymethoxy-[4-(trifluoromethyl)phenyl]silane
SMILESCCOC(OCC)O[SiH2]c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H17F3O3Si/c1-3-16-11(17-4-2)18-19-10-7-5-9(6-8-10)12(13,14)15/h5-8,11H,3-4,19H2,1-2H3
InChIKeyPBNJENQZPRRAPP-UHFFFAOYSA-N
XLogP1.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.79
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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Related Compounds

diethoxymethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 154162114
2,2-diethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 71521606
N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide
CID 78909661
3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 64541975
2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine
CID 167341767
N-(1-chlorobutan-2-yl)-4-(trifluoromethyl)aniline
CID 65030358
1-[(2S,3S)-3-methylpentan-2-yl]-4-(trifluoromethyl)benzene
CID 162611871
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
(2S)-1-ethoxy-2-[2-oxido-2-[4-(trifluoromethyl)phenoxy]hydrazinyl]propan-1-ol
CID 162564830
2-methoxy-N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 79197895
3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine
CID 115903398
N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline
CID 62648259

Frequently Asked Questions

What is the IUPAC name of diethoxymethoxy-[4-(trifluoromethyl)phenyl]silane?
The IUPAC name of diethoxymethoxy-[4-(trifluoromethyl)phenyl]silane (CID 154180354) is diethoxymethoxy-[4-(trifluoromethyl)phenyl]silane.
What is the SMILES notation for diethoxymethoxy-[4-(trifluoromethyl)phenyl]silane?
The canonical SMILES for diethoxymethoxy-[4-(trifluoromethyl)phenyl]silane is CCOC(OCC)O[SiH2]c1ccc(C(F)(F)F)cc1.
What is the InChIKey of diethoxymethoxy-[4-(trifluoromethyl)phenyl]silane?
The InChIKey is PBNJENQZPRRAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3O3Si/c1-3-16-11(17-4-2)18-19-10-7-5-9(6-8-10)12(13,14)15/h5-8,11H,3-4,19H2,1-2H3.
What are the key properties of diethoxymethoxy-[4-(trifluoromethyl)phenyl]silane?
diethoxymethoxy-[4-(trifluoromethyl)phenyl]silane has a molecular weight of 294.35 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethoxy-[4-(trifluoromethyl)phenyl]silane is sourced from PubChem (CID 154180354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).