[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-triethoxysilane

C13H15F7O3Si — CID 20513039

IUPAC[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C(F)(F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H15F7O3Si/c1-4-21-24(22-5-2,23-6-3)13(19,20)7-8(14)10(16)12(18)11(17)9(7)15/h4-6H2,1-3H3
InChIKeyUDGKZDNALOVGAY-UHFFFAOYSA-N
MW380.33 g/mol
LogP4.06
Rot. Bonds8

About [difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-triethoxysilane

[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-triethoxysilane (PubChem CID 20513039) has the molecular formula C13H15F7O3Si and a molecular weight of 380.33 g/mol. Its IUPAC name is [difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-triethoxysilane.

Molecular Properties

Compound Name[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-triethoxysilane
PubChem CID20513039
Molecular FormulaC13H15F7O3Si
Molecular Weight380.33 g/mol
Exact Mass380.07
IUPAC Name[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C(F)(F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H15F7O3Si/c1-4-21-24(22-5-2,23-6-3)13(19,20)7-8(14)10(16)12(18)11(17)9(7)15/h4-6H2,1-3H3
InChIKeyUDGKZDNALOVGAY-UHFFFAOYSA-N
XLogP4.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-triethoxysilane?
The IUPAC name of [difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-triethoxysilane (CID 20513039) is [difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-triethoxysilane.
What is the SMILES notation for [difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-triethoxysilane?
The canonical SMILES for [difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-triethoxysilane is CCO[Si](OCC)(OCC)C(F)(F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of [difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-triethoxysilane?
The InChIKey is UDGKZDNALOVGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F7O3Si/c1-4-21-24(22-5-2,23-6-3)13(19,20)7-8(14)10(16)12(18)11(17)9(7)15/h4-6H2,1-3H3.
What are the key properties of [difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-triethoxysilane?
[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-triethoxysilane has a molecular weight of 380.33 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]-triethoxysilane is sourced from PubChem (CID 20513039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).