tetrakis(2,3,4,5,6-pentafluorophenoxy)boranuide

C24BF20O4- — CID 11262888

IUPACtetrakis(2,3,4,5,6-pentafluorophenoxy)boranuide
SMILESFc1c(F)c(F)c(O[B-](Oc2c(F)c(F)c(F)c(F)c2F)(Oc2c(F)c(F)c(F)c(F)c2F)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C24BF20O4/c26-1-5(30)13(38)21(14(39)6(1)31)46-25(47-22-15(40)7(32)2(27)8(33)16(22)41,48-23-17(42)9(34)3(28)10(35)18(23)43)49-24-19(44)11(36)4(29)12(37)20(24)45/q-1
InChIKeyPLTJSWDDCBCJIT-UHFFFAOYSA-N
MW743.03 g/mol
LogP8.52
Rot. Bonds8

About tetrakis(2,3,4,5,6-pentafluorophenoxy)boranuide

tetrakis(2,3,4,5,6-pentafluorophenoxy)boranuide (PubChem CID 11262888) has the molecular formula C24BF20O4- and a molecular weight of 743.03 g/mol. Its IUPAC name is tetrakis(2,3,4,5,6-pentafluorophenoxy)boranuide.

Molecular Properties

Compound Nametetrakis(2,3,4,5,6-pentafluorophenoxy)boranuide
PubChem CID11262888
Molecular FormulaC24BF20O4-
Molecular Weight743.03 g/mol
Exact Mass742.96
IUPAC Nametetrakis(2,3,4,5,6-pentafluorophenoxy)boranuide
SMILESFc1c(F)c(F)c(O[B-](Oc2c(F)c(F)c(F)c(F)c2F)(Oc2c(F)c(F)c(F)c(F)c2F)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C24BF20O4/c26-1-5(30)13(38)21(14(39)6(1)31)46-25(47-22-15(40)7(32)2(27)8(33)16(22)41,48-23-17(42)9(34)3(28)10(35)18(23)43)49-24-19(44)11(36)4(29)12(37)20(24)45/q-1
InChIKeyPLTJSWDDCBCJIT-UHFFFAOYSA-N
XLogP8.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.03
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tetrakis(2,3,4,5,6-pentafluorophenoxy)boranuide?
The IUPAC name of tetrakis(2,3,4,5,6-pentafluorophenoxy)boranuide (CID 11262888) is tetrakis(2,3,4,5,6-pentafluorophenoxy)boranuide.
What is the SMILES notation for tetrakis(2,3,4,5,6-pentafluorophenoxy)boranuide?
The canonical SMILES for tetrakis(2,3,4,5,6-pentafluorophenoxy)boranuide is Fc1c(F)c(F)c(O[B-](Oc2c(F)c(F)c(F)c(F)c2F)(Oc2c(F)c(F)c(F)c(F)c2F)Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of tetrakis(2,3,4,5,6-pentafluorophenoxy)boranuide?
The InChIKey is PLTJSWDDCBCJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24BF20O4/c26-1-5(30)13(38)21(14(39)6(1)31)46-25(47-22-15(40)7(32)2(27)8(33)16(22)41,48-23-17(42)9(34)3(28)10(35)18(23)43)49-24-19(44)11(36)4(29)12(37)20(24)45/q-1.
What are the key properties of tetrakis(2,3,4,5,6-pentafluorophenoxy)boranuide?
tetrakis(2,3,4,5,6-pentafluorophenoxy)boranuide has a molecular weight of 743.03 g/mol, XLogP of 8.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,3,4,5,6-pentafluorophenoxy)boranuide is sourced from PubChem (CID 11262888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).