tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluorophenyl)boranuide;hydrofluoride

C24H2BF20- — CID 158708650

IUPACtris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluorophenyl)boranuide;hydrofluoride
SMILESF.Fc1cc([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)c(F)c1F
InChIInChI=1S/C24HBF19.FH/c26-3-1-2(7(27)15(35)8(3)28)25(4-9(29)16(36)22(42)17(37)10(4)30,5-11(31)18(38)23(43)19(39)12(5)32)6-13(33)20(40)24(44)21(41)14(6)34;/h1H;1H/q-1;
InChIKeyIILBXQMZPCQELQ-UHFFFAOYSA-N
MW681.05 g/mol
LogP5.86
Rot. Bonds4

About tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluorophenyl)boranuide;hydrofluoride

tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluorophenyl)boranuide;hydrofluoride (PubChem CID 158708650) has the molecular formula C24H2BF20- and a molecular weight of 681.05 g/mol. Its IUPAC name is tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluorophenyl)boranuide;hydrofluoride.

Molecular Properties

Compound Nametris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluorophenyl)boranuide;hydrofluoride
PubChem CID158708650
Molecular FormulaC24H2BF20-
Molecular Weight681.05 g/mol
Exact Mass680.99
IUPAC Nametris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluorophenyl)boranuide;hydrofluoride
SMILESF.Fc1cc([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)c(F)c1F
InChIInChI=1S/C24HBF19.FH/c26-3-1-2(7(27)15(35)8(3)28)25(4-9(29)16(36)22(42)17(37)10(4)30,5-11(31)18(38)23(43)19(39)12(5)32)6-13(33)20(40)24(44)21(41)14(6)34;/h1H;1H/q-1;
InChIKeyIILBXQMZPCQELQ-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.05
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)boranuide
CID 11146777
pyrylium;tetrakis(2,3,4,5-tetrafluorophenyl)boranuide
CID 139908120
hydron;tris(2,3,4,5-tetrafluorophenyl)-(2,3,4,5-tetrafluoro-6-tritylphenyl)boranuide
CID 139794522
tetrakis(2,3,4,5-tetrafluorophenyl)boranuide;triphenylsilanylium
CID 87245412
bis(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)-(2,3,4,6-tetrafluorophenyl)boranuide
CID 162205470
tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide
CID 22637409
ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 140502353
dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 173034604
CID 172801487
CID 172801487
bis[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethyl)phenyl]-[2,3,5-trifluoro-4-(1,2,2-trifluoroethenyl)phenyl]boranuide
CID 174149178
Lithiumtetrakis(pentafluorophenyl)boric acid
CID 86750431
magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride
CID 175877855

Frequently Asked Questions

What is the IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluorophenyl)boranuide;hydrofluoride?
The IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluorophenyl)boranuide;hydrofluoride (CID 158708650) is tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluorophenyl)boranuide;hydrofluoride.
What is the SMILES notation for tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluorophenyl)boranuide;hydrofluoride?
The canonical SMILES for tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluorophenyl)boranuide;hydrofluoride is F.Fc1cc([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)c(F)c1F.
What is the InChIKey of tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluorophenyl)boranuide;hydrofluoride?
The InChIKey is IILBXQMZPCQELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24HBF19.FH/c26-3-1-2(7(27)15(35)8(3)28)25(4-9(29)16(36)22(42)17(37)10(4)30,5-11(31)18(38)23(43)19(39)12(5)32)6-13(33)20(40)24(44)21(41)14(6)34;/h1H;1H/q-1;.
What are the key properties of tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluorophenyl)boranuide;hydrofluoride?
tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluorophenyl)boranuide;hydrofluoride has a molecular weight of 681.05 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3,4,5,6-pentafluorophenyl)-(2,3,4,5-tetrafluorophenyl)boranuide;hydrofluoride is sourced from PubChem (CID 158708650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).