ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane

C17H19F3O3Si — CID 90173483

IUPACethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
SMILESCCO[Si](OC)(OC)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H19F3O3Si/c1-4-23-24(21-2,22-3)16-10-8-13(9-11-16)14-6-5-7-15(12-14)17(18,19)20/h5-12H,4H2,1-3H3
InChIKeyFPAOSUJLICUPID-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.85
Rot. Bonds6

About ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane

ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane (PubChem CID 90173483) has the molecular formula C17H19F3O3Si and a molecular weight of 356.42 g/mol. Its IUPAC name is ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane.

Molecular Properties

Compound Nameethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
PubChem CID90173483
Molecular FormulaC17H19F3O3Si
Molecular Weight356.42 g/mol
Exact Mass356.11
IUPAC Nameethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
SMILESCCO[Si](OC)(OC)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H19F3O3Si/c1-4-23-24(21-2,22-3)16-10-8-13(9-11-16)14-6-5-7-15(12-14)17(18,19)20/h5-12H,4H2,1-3H3
InChIKeyFPAOSUJLICUPID-UHFFFAOYSA-N
XLogP3.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90171711
trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90174149
[4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane
CID 90171356
triethoxy-[4-(4-phenylphenyl)phenyl]silane
CID 59687607
trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90172461
diethoxy-hydroxy-[3-(trifluoromethyl)phenyl]silane
CID 90172525
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-dimethoxy-propan-2-yloxysilane
CID 90174042
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90171970
2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
CID 134627143

Frequently Asked Questions

What is the IUPAC name of ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane?
The IUPAC name of ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane (CID 90173483) is ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane.
What is the SMILES notation for ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane?
The canonical SMILES for ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane is CCO[Si](OC)(OC)c1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane?
The InChIKey is FPAOSUJLICUPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3O3Si/c1-4-23-24(21-2,22-3)16-10-8-13(9-11-16)14-6-5-7-15(12-14)17(18,19)20/h5-12H,4H2,1-3H3.
What are the key properties of ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane?
ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane has a molecular weight of 356.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dimethoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane is sourced from PubChem (CID 90173483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).