tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide

C27H9BF19O3Si- — CID 22239745

IUPACtris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide
SMILESCO[Si](OC)(OC)c1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C27H9BF19O3Si/c1-48-51(49-2,50-3)27-25(46)14(35)7(15(36)26(27)47)28(4-8(29)16(37)22(43)17(38)9(4)30,5-10(31)18(39)23(44)19(40)11(5)32)6-12(33)20(41)24(45)21(42)13(6)34/h1-3H3/q-1
InChIKeyGKJFSMFMSGQFPL-UHFFFAOYSA-N
MW781.23 g/mol
LogP4.79
Rot. Bonds8

About tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide

tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide (PubChem CID 22239745) has the molecular formula C27H9BF19O3Si- and a molecular weight of 781.23 g/mol. Its IUPAC name is tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide.

Molecular Properties

Compound Nametris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide
PubChem CID22239745
Molecular FormulaC27H9BF19O3Si-
Molecular Weight781.23 g/mol
Exact Mass781.01
IUPAC Nametris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide
SMILESCO[Si](OC)(OC)c1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C27H9BF19O3Si/c1-48-51(49-2,50-3)27-25(46)14(35)7(15(36)26(27)47)28(4-8(29)16(37)22(43)17(38)9(4)30,5-10(31)18(39)23(44)19(40)11(5)32)6-12(33)20(41)24(45)21(42)13(6)34/h1-3H3/q-1
InChIKeyGKJFSMFMSGQFPL-UHFFFAOYSA-N
XLogP4.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500781.23
LogP ≤ 54.79
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 tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide?
The IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide (CID 22239745) is tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide.
What is the SMILES notation for tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide?
The canonical SMILES for tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide is CO[Si](OC)(OC)c1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide?
The InChIKey is GKJFSMFMSGQFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H9BF19O3Si/c1-48-51(49-2,50-3)27-25(46)14(35)7(15(36)26(27)47)28(4-8(29)16(37)22(43)17(38)9(4)30,5-10(31)18(39)23(44)19(40)11(5)32)6-12(33)20(41)24(45)21(42)13(6)34/h1-3H3/q-1.
What are the key properties of tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide?
tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide has a molecular weight of 781.23 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-trimethoxysilylphenyl)boranuide is sourced from PubChem (CID 22239745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).