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

C24BF20O- — CID 18615330

IUPAC(2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESFc1c(F)c(F)c(O[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/C24BF20O/c26-4-1(5(27)11(33)16(38)10(4)32)25(2-6(28)12(34)17(39)13(35)7(2)29,3-8(30)14(36)18(40)15(37)9(3)31)46-24-22(44)20(42)19(41)21(43)23(24)45/q-1
InChIKeySJNJGUPYRPABNX-UHFFFAOYSA-N
MW695.03 g/mol
LogP6.51
Rot. Bonds5

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

(2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 18615330) has the molecular formula C24BF20O- and a molecular weight of 695.03 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID18615330
Molecular FormulaC24BF20O-
Molecular Weight695.03 g/mol
Exact Mass694.97
IUPAC Name(2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESFc1c(F)c(F)c(O[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/C24BF20O/c26-4-1(5(27)11(33)16(38)10(4)32)25(2-6(28)12(34)17(39)13(35)7(2)29,3-8(30)14(36)18(40)15(37)9(3)31)46-24-22(44)20(42)19(41)21(43)23(24)45/q-1
InChIKeySJNJGUPYRPABNX-UHFFFAOYSA-N
XLogP6.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.03
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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(pentafluorophenyl)borate
CID 15887311
Al(OC6F5)3
CID 16688057
Bis(2,3,4,5,6-pentafluorophenoxy)-(2,3,4,5,6-pentafluorophenyl)borane
CID 85811035
(2,3,4,5,6-Pentafluorophenoxy)-bis(2,3,4,5,6-pentafluorophenyl)borane
CID 86043659
Tris(2,3,4,5,6-pentafluorophenyl) phosphite
CID 13094913
2,4,6-Tris-(pentafluorphenoxy)-borazin
CID 129647668
Fluoro-tris(2,3,4,5,6-pentafluorophenoxy)-lambda4-sulfane
CID 134929717
Pentakis(2,3,4,5,6-pentafluorophenoxy)-lambda5-phosphane
CID 12954707
Tetrakis(2,3,4,5,6-pentafluorophenoxy)boranuide
CID 11262888
Bis(2,3,4,5,6-pentafluorophenoxy)borinic acid
CID 18431894
Tetrakis(2,3,4,5,6-pentafluorophenoxy)stannane
CID 18626831
Methyl-bis(2,3,4,5,6-pentafluorophenoxy)borane
CID 20873002

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of (2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)boranuide (CID 18615330) is (2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for (2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)boranuide is Fc1c(F)c(F)c(O[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 (2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is SJNJGUPYRPABNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24BF20O/c26-4-1(5(27)11(33)16(38)10(4)32)25(2-6(28)12(34)17(39)13(35)7(2)29,3-8(30)14(36)18(40)15(37)9(3)31)46-24-22(44)20(42)19(41)21(43)23(24)45/q-1.
What are the key properties of (2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)boranuide?
(2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 695.03 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenoxy)-tris(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 18615330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).