sodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

C28H10BF20NaO2 — CID 23669690

IUPACsodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESCOCCOC.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+]
InChIInChI=1S/C24BF20.C4H10O2.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;1-5-3-4-6-2;/h;3-4H2,1-2H3;/q-1;;+1
InChIKeyKVPIFTWWQWMSKT-UHFFFAOYSA-N
MW792.15 g/mol
LogP3.13
Rot. Bonds7

About sodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

sodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 23669690) has the molecular formula C28H10BF20NaO2 and a molecular weight of 792.15 g/mol. Its IUPAC name is sodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Namesodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID23669690
Molecular FormulaC28H10BF20NaO2
Molecular Weight792.15 g/mol
Exact Mass792.04
IUPAC Namesodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESCOCCOC.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+]
InChIInChI=1S/C24BF20.C4H10O2.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;1-5-3-4-6-2;/h;3-4H2,1-2H3;/q-1;;+1
InChIKeyKVPIFTWWQWMSKT-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500792.15
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze sodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of sodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 23669690) is sodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for sodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for sodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is COCCOC.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;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is KVPIFTWWQWMSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24BF20.C4H10O2.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;1-5-3-4-6-2;/h;3-4H2,1-2H3;/q-1;;+1.
What are the key properties of sodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
sodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 792.15 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 23669690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).