trimethoxy-(2,3,4,5,6-pentafluorophenyl)silane

C9H9F5O3Si — CID 2782640

IUPACtrimethoxy-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCO[Si](OC)(OC)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H9F5O3Si/c1-15-18(16-2,17-3)9-7(13)5(11)4(10)6(12)8(9)14/h1-3H3
InChIKeyXFFHTZIRHGKTBQ-UHFFFAOYSA-N
MW288.24 g/mol
LogP1.47
Rot. Bonds4

About trimethoxy-(2,3,4,5,6-pentafluorophenyl)silane

trimethoxy-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 2782640) has the molecular formula C9H9F5O3Si and a molecular weight of 288.24 g/mol. Its IUPAC name is trimethoxy-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Nametrimethoxy-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID2782640
Molecular FormulaC9H9F5O3Si
Molecular Weight288.24 g/mol
Exact Mass288.02
IUPAC Nametrimethoxy-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCO[Si](OC)(OC)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H9F5O3Si/c1-15-18(16-2,17-3)9-7(13)5(11)4(10)6(12)8(9)14/h1-3H3
InChIKeyXFFHTZIRHGKTBQ-UHFFFAOYSA-N
XLogP1.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 51.47
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 trimethoxy-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of trimethoxy-(2,3,4,5,6-pentafluorophenyl)silane (CID 2782640) is trimethoxy-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for trimethoxy-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for trimethoxy-(2,3,4,5,6-pentafluorophenyl)silane is CO[Si](OC)(OC)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of trimethoxy-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is XFFHTZIRHGKTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5O3Si/c1-15-18(16-2,17-3)9-7(13)5(11)4(10)6(12)8(9)14/h1-3H3.
What are the key properties of trimethoxy-(2,3,4,5,6-pentafluorophenyl)silane?
trimethoxy-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 288.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 2782640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).