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

C11H16F2O3Si — CID 90170563

IUPAC(3,5-difluorophenyl)methyl-ethoxy-dimethoxysilane
SMILESCCO[Si](Cc1cc(F)cc(F)c1)(OC)OC
InChIInChI=1S/C11H16F2O3Si/c1-4-16-17(14-2,15-3)8-9-5-10(12)7-11(13)6-9/h5-7H,4,8H2,1-3H3
InChIKeyQTMHJKIDVONTBO-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.31
Rot. Bonds6

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

(3,5-difluorophenyl)methyl-ethoxy-dimethoxysilane (PubChem CID 90170563) has the molecular formula C11H16F2O3Si and a molecular weight of 262.33 g/mol. Its IUPAC name is (3,5-difluorophenyl)methyl-ethoxy-dimethoxysilane.

Molecular Properties

Compound Name(3,5-difluorophenyl)methyl-ethoxy-dimethoxysilane
PubChem CID90170563
Molecular FormulaC11H16F2O3Si
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name(3,5-difluorophenyl)methyl-ethoxy-dimethoxysilane
SMILESCCO[Si](Cc1cc(F)cc(F)c1)(OC)OC
InChIInChI=1S/C11H16F2O3Si/c1-4-16-17(14-2,15-3)8-9-5-10(12)7-11(13)6-9/h5-7H,4,8H2,1-3H3
InChIKeyQTMHJKIDVONTBO-UHFFFAOYSA-N
XLogP2.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.31
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)methyl-ethoxy-dimethoxysilane?
The IUPAC name of (3,5-difluorophenyl)methyl-ethoxy-dimethoxysilane (CID 90170563) is (3,5-difluorophenyl)methyl-ethoxy-dimethoxysilane.
What is the SMILES notation for (3,5-difluorophenyl)methyl-ethoxy-dimethoxysilane?
The canonical SMILES for (3,5-difluorophenyl)methyl-ethoxy-dimethoxysilane is CCO[Si](Cc1cc(F)cc(F)c1)(OC)OC.
What is the InChIKey of (3,5-difluorophenyl)methyl-ethoxy-dimethoxysilane?
The InChIKey is QTMHJKIDVONTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O3Si/c1-4-16-17(14-2,15-3)8-9-5-10(12)7-11(13)6-9/h5-7H,4,8H2,1-3H3.
What are the key properties of (3,5-difluorophenyl)methyl-ethoxy-dimethoxysilane?
(3,5-difluorophenyl)methyl-ethoxy-dimethoxysilane has a molecular weight of 262.33 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)methyl-ethoxy-dimethoxysilane is sourced from PubChem (CID 90170563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).