tris(2,3,4,5,6-pentafluorophenyl)-prop-1-en-2-yloxysilane

C21H5F15OSi — CID 11353761

IUPACtris(2,3,4,5,6-pentafluorophenyl)-prop-1-en-2-yloxysilane
SMILESC=C(C)O[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/C21H5F15OSi/c1-3(2)37-38(19-13(31)7(25)4(22)8(26)14(19)32,20-15(33)9(27)5(23)10(28)16(20)34)21-17(35)11(29)6(24)12(30)18(21)36/h1H2,2H3
InChIKeyQIXNINALAYEKKB-UHFFFAOYSA-N
MW586.33 g/mol
LogP5.29
Rot. Bonds5

About tris(2,3,4,5,6-pentafluorophenyl)-prop-1-en-2-yloxysilane

tris(2,3,4,5,6-pentafluorophenyl)-prop-1-en-2-yloxysilane (PubChem CID 11353761) has the molecular formula C21H5F15OSi and a molecular weight of 586.33 g/mol. Its IUPAC name is tris(2,3,4,5,6-pentafluorophenyl)-prop-1-en-2-yloxysilane.

Molecular Properties

Compound Nametris(2,3,4,5,6-pentafluorophenyl)-prop-1-en-2-yloxysilane
PubChem CID11353761
Molecular FormulaC21H5F15OSi
Molecular Weight586.33 g/mol
Exact Mass585.99
IUPAC Nametris(2,3,4,5,6-pentafluorophenyl)-prop-1-en-2-yloxysilane
SMILESC=C(C)O[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/C21H5F15OSi/c1-3(2)37-38(19-13(31)7(25)4(22)8(26)14(19)32,20-15(33)9(27)5(23)10(28)16(20)34)21-17(35)11(29)6(24)12(30)18(21)36/h1H2,2H3
InChIKeyQIXNINALAYEKKB-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.33
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 tris(2,3,4,5,6-pentafluorophenyl)-prop-1-en-2-yloxysilane?
The IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)-prop-1-en-2-yloxysilane (CID 11353761) is tris(2,3,4,5,6-pentafluorophenyl)-prop-1-en-2-yloxysilane.
What is the SMILES notation for tris(2,3,4,5,6-pentafluorophenyl)-prop-1-en-2-yloxysilane?
The canonical SMILES for tris(2,3,4,5,6-pentafluorophenyl)-prop-1-en-2-yloxysilane is C=C(C)O[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 tris(2,3,4,5,6-pentafluorophenyl)-prop-1-en-2-yloxysilane?
The InChIKey is QIXNINALAYEKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H5F15OSi/c1-3(2)37-38(19-13(31)7(25)4(22)8(26)14(19)32,20-15(33)9(27)5(23)10(28)16(20)34)21-17(35)11(29)6(24)12(30)18(21)36/h1H2,2H3.
What are the key properties of tris(2,3,4,5,6-pentafluorophenyl)-prop-1-en-2-yloxysilane?
tris(2,3,4,5,6-pentafluorophenyl)-prop-1-en-2-yloxysilane has a molecular weight of 586.33 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3,4,5,6-pentafluorophenyl)-prop-1-en-2-yloxysilane is sourced from PubChem (CID 11353761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).