sodium tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

C24BF20Na — CID 23672441

IUPACsodium tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESFc1c(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)c(F)c1F.[Na+]
InChIInChI=1S/C24BF20.Na/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;/q-1;+1
InChIKeyNXSPYLCTDFECPN-UHFFFAOYSA-N
MW702.03 g/mol
LogP2.85
Rot. Bonds4

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

sodium tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 23672441) has the molecular formula C24BF20Na and a molecular weight of 702.03 g/mol. Its IUPAC name is sodium tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Namesodium tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID23672441
Molecular FormulaC24BF20Na
Molecular Weight702.03 g/mol
Exact Mass701.97
IUPAC Namesodium tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESFc1c(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)c(F)c1F.[Na+]
InChIInChI=1S/C24BF20.Na/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;/q-1;+1
InChIKeyNXSPYLCTDFECPN-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500702.03
LogP ≤ 52.85
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 sodium tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of sodium tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 23672441) is sodium tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for sodium tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for sodium tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is Fc1c(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)c(F)c1F.[Na+].
What is the InChIKey of sodium tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is NXSPYLCTDFECPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24BF20.Na/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;/q-1;+1.
What are the key properties of sodium tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
sodium tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 702.03 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 23672441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).