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

C30H15BF19O3Si- — CID 22239758

IUPACtris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-triethoxysilylphenyl)boranuide
SMILESCCO[Si](OCC)(OCC)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/C30H15BF19O3Si/c1-4-51-54(52-5-2,53-6-3)30-28(49)17(38)10(18(39)29(30)50)31(7-11(32)19(40)25(46)20(41)12(7)33,8-13(34)21(42)26(47)22(43)14(8)35)9-15(36)23(44)27(48)24(45)16(9)37/h4-6H2,1-3H3/q-1
InChIKeyZYABXPNTPNPCOI-UHFFFAOYSA-N
MW823.31 g/mol
LogP5.96
Rot. Bonds11

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

tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-triethoxysilylphenyl)boranuide (PubChem CID 22239758) has the molecular formula C30H15BF19O3Si- and a molecular weight of 823.31 g/mol. Its IUPAC name is tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-triethoxysilylphenyl)boranuide.

Molecular Properties

Compound Nametris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-triethoxysilylphenyl)boranuide
PubChem CID22239758
Molecular FormulaC30H15BF19O3Si-
Molecular Weight823.31 g/mol
Exact Mass823.06
IUPAC Nametris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-triethoxysilylphenyl)boranuide
SMILESCCO[Si](OCC)(OCC)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/C30H15BF19O3Si/c1-4-51-54(52-5-2,53-6-3)30-28(49)17(38)10(18(39)29(30)50)31(7-11(32)19(40)25(46)20(41)12(7)33,8-13(34)21(42)26(47)22(43)14(8)35)9-15(36)23(44)27(48)24(45)16(9)37/h4-6H2,1-3H3/q-1
InChIKeyZYABXPNTPNPCOI-UHFFFAOYSA-N
XLogP5.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.31
LogP ≤ 55.96
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-triethoxysilylphenyl)boranuide?
The IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-triethoxysilylphenyl)boranuide (CID 22239758) is tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-triethoxysilylphenyl)boranuide.
What is the SMILES notation for tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-triethoxysilylphenyl)boranuide?
The canonical SMILES for tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-triethoxysilylphenyl)boranuide is CCO[Si](OCC)(OCC)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-triethoxysilylphenyl)boranuide?
The InChIKey is ZYABXPNTPNPCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H15BF19O3Si/c1-4-51-54(52-5-2,53-6-3)30-28(49)17(38)10(18(39)29(30)50)31(7-11(32)19(40)25(46)20(41)12(7)33,8-13(34)21(42)26(47)22(43)14(8)35)9-15(36)23(44)27(48)24(45)16(9)37/h4-6H2,1-3H3/q-1.
What are the key properties of tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-triethoxysilylphenyl)boranuide?
tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-triethoxysilylphenyl)boranuide has a molecular weight of 823.31 g/mol, XLogP of 5.96, 11 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-triethoxysilylphenyl)boranuide is sourced from PubChem (CID 22239758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).