methoxymethyl-tris(2,3,4,5,6-pentafluorophenyl)silane

C20H5F15OSi — CID 59450332

IUPACmethoxymethyl-tris(2,3,4,5,6-pentafluorophenyl)silane
SMILESCOC[Si](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C20H5F15OSi/c1-36-2-37(18-12(30)6(24)3(21)7(25)13(18)31,19-14(32)8(26)4(22)9(27)15(19)33)20-16(34)10(28)5(23)11(29)17(20)35/h2H2,1H3
InChIKeyNSOLJOMLGFQHGR-UHFFFAOYSA-N
MW574.32 g/mol
LogP4.43
Rot. Bonds5

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

methoxymethyl-tris(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 59450332) has the molecular formula C20H5F15OSi and a molecular weight of 574.32 g/mol. Its IUPAC name is methoxymethyl-tris(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namemethoxymethyl-tris(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID59450332
Molecular FormulaC20H5F15OSi
Molecular Weight574.32 g/mol
Exact Mass573.99
IUPAC Namemethoxymethyl-tris(2,3,4,5,6-pentafluorophenyl)silane
SMILESCOC[Si](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C20H5F15OSi/c1-36-2-37(18-12(30)6(24)3(21)7(25)13(18)31,19-14(32)8(26)4(22)9(27)15(19)33)20-16(34)10(28)5(23)11(29)17(20)35/h2H2,1H3
InChIKeyNSOLJOMLGFQHGR-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.32
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethyl-tris(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of methoxymethyl-tris(2,3,4,5,6-pentafluorophenyl)silane (CID 59450332) is methoxymethyl-tris(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for methoxymethyl-tris(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for methoxymethyl-tris(2,3,4,5,6-pentafluorophenyl)silane is COC[Si](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of methoxymethyl-tris(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is NSOLJOMLGFQHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H5F15OSi/c1-36-2-37(18-12(30)6(24)3(21)7(25)13(18)31,19-14(32)8(26)4(22)9(27)15(19)33)20-16(34)10(28)5(23)11(29)17(20)35/h2H2,1H3.
What are the key properties of methoxymethyl-tris(2,3,4,5,6-pentafluorophenyl)silane?
methoxymethyl-tris(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 574.32 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl-tris(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 59450332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).