bis(2,3,4,5,6-pentafluorophenyl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane

C24BF19 — CID 12994094

IUPACbis(2,3,4,5,6-pentafluorophenyl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane
SMILESFc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C24BF19/c26-6-1(2-7(27)15(35)22(42)16(36)8(2)28)3(9(29)17(37)14(6)34)25(4-10(30)18(38)23(43)19(39)11(4)31)5-12(32)20(40)24(44)21(41)13(5)33
InChIKeyJPEYCLUNPIPYLD-UHFFFAOYSA-N
MW660.04 g/mol
LogP6.51
Rot. Bonds4

About bis(2,3,4,5,6-pentafluorophenyl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane

bis(2,3,4,5,6-pentafluorophenyl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane (PubChem CID 12994094) has the molecular formula C24BF19 and a molecular weight of 660.04 g/mol. Its IUPAC name is bis(2,3,4,5,6-pentafluorophenyl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane.

Molecular Properties

Compound Namebis(2,3,4,5,6-pentafluorophenyl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane
PubChem CID12994094
Molecular FormulaC24BF19
Molecular Weight660.04 g/mol
Exact Mass659.98
IUPAC Namebis(2,3,4,5,6-pentafluorophenyl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane
SMILESFc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C24BF19/c26-6-1(2-7(27)15(35)22(42)16(36)8(2)28)3(9(29)17(37)14(6)34)25(4-10(30)18(38)23(43)19(39)11(4)31)5-12(32)20(40)24(44)21(41)13(5)33
InChIKeyJPEYCLUNPIPYLD-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.04
LogP ≤ 56.51
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 bis(2,3,4,5,6-pentafluorophenyl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane?
The IUPAC name of bis(2,3,4,5,6-pentafluorophenyl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane (CID 12994094) is bis(2,3,4,5,6-pentafluorophenyl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane.
What is the SMILES notation for bis(2,3,4,5,6-pentafluorophenyl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane?
The canonical SMILES for bis(2,3,4,5,6-pentafluorophenyl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane is Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of bis(2,3,4,5,6-pentafluorophenyl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane?
The InChIKey is JPEYCLUNPIPYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24BF19/c26-6-1(2-7(27)15(35)22(42)16(36)8(2)28)3(9(29)17(37)14(6)34)25(4-10(30)18(38)23(43)19(39)11(4)31)5-12(32)20(40)24(44)21(41)13(5)33.
What are the key properties of bis(2,3,4,5,6-pentafluorophenyl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane?
bis(2,3,4,5,6-pentafluorophenyl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane has a molecular weight of 660.04 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,5,6-pentafluorophenyl)-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane is sourced from PubChem (CID 12994094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).