(2,2-difluoroethoxy-ethoxy-fluoromethoxy)-difluoro-phenylsilane

C11H13F5O3Si — CID 90174021

IUPAC(2,2-difluoroethoxy-ethoxy-fluoromethoxy)-difluoro-phenylsilane
SMILESCCOC(F)(OCC(F)F)O[Si](F)(F)c1ccccc1
InChIInChI=1S/C11H13F5O3Si/c1-2-17-11(14,18-8-10(12)13)19-20(15,16)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyXBDZQEFZESNYSD-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.69
Rot. Bonds8

About (2,2-difluoroethoxy-ethoxy-fluoromethoxy)-difluoro-phenylsilane

(2,2-difluoroethoxy-ethoxy-fluoromethoxy)-difluoro-phenylsilane (PubChem CID 90174021) has the molecular formula C11H13F5O3Si and a molecular weight of 316.30 g/mol. Its IUPAC name is (2,2-difluoroethoxy-ethoxy-fluoromethoxy)-difluoro-phenylsilane.

Molecular Properties

Compound Name(2,2-difluoroethoxy-ethoxy-fluoromethoxy)-difluoro-phenylsilane
PubChem CID90174021
Molecular FormulaC11H13F5O3Si
Molecular Weight316.30 g/mol
Exact Mass316.06
IUPAC Name(2,2-difluoroethoxy-ethoxy-fluoromethoxy)-difluoro-phenylsilane
SMILESCCOC(F)(OCC(F)F)O[Si](F)(F)c1ccccc1
InChIInChI=1S/C11H13F5O3Si/c1-2-17-11(14,18-8-10(12)13)19-20(15,16)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyXBDZQEFZESNYSD-UHFFFAOYSA-N
XLogP2.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.69
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluoroethoxy-ethoxy-fluoromethoxy)-difluoro-phenylsilane?
The IUPAC name of (2,2-difluoroethoxy-ethoxy-fluoromethoxy)-difluoro-phenylsilane (CID 90174021) is (2,2-difluoroethoxy-ethoxy-fluoromethoxy)-difluoro-phenylsilane.
What is the SMILES notation for (2,2-difluoroethoxy-ethoxy-fluoromethoxy)-difluoro-phenylsilane?
The canonical SMILES for (2,2-difluoroethoxy-ethoxy-fluoromethoxy)-difluoro-phenylsilane is CCOC(F)(OCC(F)F)O[Si](F)(F)c1ccccc1.
What is the InChIKey of (2,2-difluoroethoxy-ethoxy-fluoromethoxy)-difluoro-phenylsilane?
The InChIKey is XBDZQEFZESNYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5O3Si/c1-2-17-11(14,18-8-10(12)13)19-20(15,16)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3.
What are the key properties of (2,2-difluoroethoxy-ethoxy-fluoromethoxy)-difluoro-phenylsilane?
(2,2-difluoroethoxy-ethoxy-fluoromethoxy)-difluoro-phenylsilane has a molecular weight of 316.30 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoroethoxy-ethoxy-fluoromethoxy)-difluoro-phenylsilane is sourced from PubChem (CID 90174021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).