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

C24HBF19- — CID 11146777

IUPACtris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)boranuide
SMILESFc1cc(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)c1F
InChIInChI=1S/C24HBF19/c26-2-1-3(27)9(29)4(8(2)28)25(5-10(30)16(36)22(42)17(37)11(5)31,6-12(32)18(38)23(43)19(39)13(6)33)7-14(34)20(40)24(44)21(41)15(7)35/h1H/q-1
InChIKeyJPVANOLHXCSWOF-UHFFFAOYSA-N
MW661.05 g/mol
LogP5.71
Rot. Bonds4

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

tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)boranuide (PubChem CID 11146777) has the molecular formula C24HBF19- and a molecular weight of 661.05 g/mol. Its IUPAC name is tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)boranuide.

Molecular Properties

Compound Nametris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)boranuide
PubChem CID11146777
Molecular FormulaC24HBF19-
Molecular Weight661.05 g/mol
Exact Mass660.99
IUPAC Nametris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)boranuide
SMILESFc1cc(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)c1F
InChIInChI=1S/C24HBF19/c26-2-1-3(27)9(29)4(8(2)28)25(5-10(30)16(36)22(42)17(37)11(5)31,6-12(32)18(38)23(43)19(39)13(6)33)7-14(34)20(40)24(44)21(41)15(7)35/h1H/q-1
InChIKeyJPVANOLHXCSWOF-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.05
LogP ≤ 55.71
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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Frequently Asked Questions

What is the IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)boranuide?
The IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)boranuide (CID 11146777) is tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)boranuide.
What is the SMILES notation for tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)boranuide?
The canonical SMILES for tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)boranuide is Fc1cc(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)c1F.
What is the InChIKey of tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)boranuide?
The InChIKey is JPVANOLHXCSWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24HBF19/c26-2-1-3(27)9(29)4(8(2)28)25(5-10(30)16(36)22(42)17(37)11(5)31,6-12(32)18(38)23(43)19(39)13(6)33)7-14(34)20(40)24(44)21(41)15(7)35/h1H/q-1.
What are the key properties of tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)boranuide?
tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)boranuide has a molecular weight of 661.05 g/mol, XLogP of 5.71, 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)-(2,3,5,6-tetrafluorophenyl)boranuide is sourced from PubChem (CID 11146777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).