(3,5-difluorophenyl)-ethoxy-dimethoxysilane

C10H14F2O3Si — CID 90173742

IUPAC(3,5-difluorophenyl)-ethoxy-dimethoxysilane
SMILESCCO[Si](OC)(OC)c1cc(F)cc(F)c1
InChIInChI=1S/C10H14F2O3Si/c1-4-15-16(13-2,14-3)10-6-8(11)5-9(12)7-10/h5-7H,4H2,1-3H3
InChIKeyQBYNKDFVMOZUAX-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.44
Rot. Bonds5

About (3,5-difluorophenyl)-ethoxy-dimethoxysilane

(3,5-difluorophenyl)-ethoxy-dimethoxysilane (PubChem CID 90173742) has the molecular formula C10H14F2O3Si and a molecular weight of 248.30 g/mol. Its IUPAC name is (3,5-difluorophenyl)-ethoxy-dimethoxysilane.

Molecular Properties

Compound Name(3,5-difluorophenyl)-ethoxy-dimethoxysilane
PubChem CID90173742
Molecular FormulaC10H14F2O3Si
Molecular Weight248.30 g/mol
Exact Mass248.07
IUPAC Name(3,5-difluorophenyl)-ethoxy-dimethoxysilane
SMILESCCO[Si](OC)(OC)c1cc(F)cc(F)c1
InChIInChI=1S/C10H14F2O3Si/c1-4-15-16(13-2,14-3)10-6-8(11)5-9(12)7-10/h5-7H,4H2,1-3H3
InChIKeyQBYNKDFVMOZUAX-UHFFFAOYSA-N
XLogP1.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.44
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 (3,5-difluorophenyl)-ethoxy-dimethoxysilane?
The IUPAC name of (3,5-difluorophenyl)-ethoxy-dimethoxysilane (CID 90173742) is (3,5-difluorophenyl)-ethoxy-dimethoxysilane.
What is the SMILES notation for (3,5-difluorophenyl)-ethoxy-dimethoxysilane?
The canonical SMILES for (3,5-difluorophenyl)-ethoxy-dimethoxysilane is CCO[Si](OC)(OC)c1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl)-ethoxy-dimethoxysilane?
The InChIKey is QBYNKDFVMOZUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O3Si/c1-4-15-16(13-2,14-3)10-6-8(11)5-9(12)7-10/h5-7H,4H2,1-3H3.
What are the key properties of (3,5-difluorophenyl)-ethoxy-dimethoxysilane?
(3,5-difluorophenyl)-ethoxy-dimethoxysilane has a molecular weight of 248.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-ethoxy-dimethoxysilane is sourced from PubChem (CID 90173742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).