[4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane

C17H20F2O3Si — CID 90171356

IUPAC[4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane
SMILESCCO[Si](OC)(OCC)c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H20F2O3Si/c1-4-21-23(20-3,22-5-2)15-9-6-13(7-10-15)14-8-11-16(18)17(19)12-14/h6-12H,4-5H2,1-3H3
InChIKeyFKXBLKSOXWTIGQ-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.50
Rot. Bonds7

About [4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane

[4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane (PubChem CID 90171356) has the molecular formula C17H20F2O3Si and a molecular weight of 338.43 g/mol. Its IUPAC name is [4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane.

Molecular Properties

Compound Name[4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane
PubChem CID90171356
Molecular FormulaC17H20F2O3Si
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name[4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane
SMILESCCO[Si](OC)(OCC)c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H20F2O3Si/c1-4-21-23(20-3,22-5-2)15-9-6-13(7-10-15)14-8-11-16(18)17(19)12-14/h6-12H,4-5H2,1-3H3
InChIKeyFKXBLKSOXWTIGQ-UHFFFAOYSA-N
XLogP3.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane?
The IUPAC name of [4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane (CID 90171356) is [4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane.
What is the SMILES notation for [4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane?
The canonical SMILES for [4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane is CCO[Si](OC)(OCC)c1ccc(-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of [4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane?
The InChIKey is FKXBLKSOXWTIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2O3Si/c1-4-21-23(20-3,22-5-2)15-9-6-13(7-10-15)14-8-11-16(18)17(19)12-14/h6-12H,4-5H2,1-3H3.
What are the key properties of [4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane?
[4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane has a molecular weight of 338.43 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane is sourced from PubChem (CID 90171356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).