lithium;1-methoxy-2-(2-methoxyethoxy)ethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

C30H13BF20LiO3- — CID 22613938

IUPAClithium;1-methoxy-2-(2-methoxyethoxy)ethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESCOC[CH-]OCCOC.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.[Li+]
InChIInChI=1S/C24BF20.C6H13O3.Li/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;1-7-3-5-9-6-4-8-2;/h;5H,3-4,6H2,1-2H3;/q2*-1;+1
InChIKeyFZWISHCJIRXKGJ-UHFFFAOYSA-N
MW819.14 g/mol
LogP3.31
Rot. Bonds10

About lithium;1-methoxy-2-(2-methoxyethoxy)ethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

lithium;1-methoxy-2-(2-methoxyethoxy)ethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 22613938) has the molecular formula C30H13BF20LiO3- and a molecular weight of 819.14 g/mol. Its IUPAC name is lithium;1-methoxy-2-(2-methoxyethoxy)ethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Namelithium;1-methoxy-2-(2-methoxyethoxy)ethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID22613938
Molecular FormulaC30H13BF20LiO3-
Molecular Weight819.14 g/mol
Exact Mass819.08
IUPAC Namelithium;1-methoxy-2-(2-methoxyethoxy)ethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESCOC[CH-]OCCOC.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.[Li+]
InChIInChI=1S/C24BF20.C6H13O3.Li/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;1-7-3-5-9-6-4-8-2;/h;5H,3-4,6H2,1-2H3;/q2*-1;+1
InChIKeyFZWISHCJIRXKGJ-UHFFFAOYSA-N
XLogP3.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500819.14
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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 lithium;1-methoxy-2-(2-methoxyethoxy)ethane;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 lithium;1-methoxy-2-(2-methoxyethoxy)ethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of lithium;1-methoxy-2-(2-methoxyethoxy)ethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 22613938) is lithium;1-methoxy-2-(2-methoxyethoxy)ethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for lithium;1-methoxy-2-(2-methoxyethoxy)ethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for lithium;1-methoxy-2-(2-methoxyethoxy)ethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is COC[CH-]OCCOC.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.[Li+].
What is the InChIKey of lithium;1-methoxy-2-(2-methoxyethoxy)ethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is FZWISHCJIRXKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24BF20.C6H13O3.Li/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;1-7-3-5-9-6-4-8-2;/h;5H,3-4,6H2,1-2H3;/q2*-1;+1.
What are the key properties of lithium;1-methoxy-2-(2-methoxyethoxy)ethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
lithium;1-methoxy-2-(2-methoxyethoxy)ethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 819.14 g/mol, XLogP of 3.31, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-methoxy-2-(2-methoxyethoxy)ethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 22613938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).