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

C26H8BF20P — CID 87610045

IUPACethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESCC[PH3+].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
InChIInChI=1S/C24BF20.C2H7P/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;1-2-3/h;2-3H2,1H3/q-1;/p+1
InChIKeyVHBPBFJYXCGZGX-UHFFFAOYSA-O
MW742.10 g/mol
LogP6.46
Rot. Bonds4

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

ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 87610045) has the molecular formula C26H8BF20P and a molecular weight of 742.10 g/mol. Its IUPAC name is ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Nameethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID87610045
Molecular FormulaC26H8BF20P
Molecular Weight742.10 g/mol
Exact Mass742.01
IUPAC Nameethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESCC[PH3+].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
InChIInChI=1S/C24BF20.C2H7P/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;1-2-3/h;2-3H2,1H3/q-1;/p+1
InChIKeyVHBPBFJYXCGZGX-UHFFFAOYSA-O
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.10
LogP ≤ 56.46
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 87610045) is ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is CC[PH3+].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.
What is the InChIKey of ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is VHBPBFJYXCGZGX-UHFFFAOYSA-O. The full InChI is InChI=1S/C24BF20.C2H7P/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;1-2-3/h;2-3H2,1H3/q-1;/p+1.
What are the key properties of ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 742.10 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 87610045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).