hydron;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;trimethyl-[3-(trifluoromethyl)phenyl]azanium

C34H14BF23N+ — CID 158213447

About hydron;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;trimethyl-[3-(trifluoromethyl)phenyl]azanium

hydron;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;trimethyl-[3-(trifluoromethyl)phenyl]azanium (PubChem CID 158213447) has the molecular formula C34H14BF23N+ and a molecular weight of 884.26 g/mol. Its IUPAC name is hydron;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;trimethyl-[3-(trifluoromethyl)phenyl]azanium.

Molecular Properties

• Compound Name: hydron;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;trimethyl-[3-(trifluoromethyl)phenyl]azanium
• PubChem CID: 158213447
• Molecular Formula: C34H14BF23N+
• Molecular Weight: 884.26 g/mol
• Exact Mass: 884.08
• IUPAC Name: hydron;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;trimethyl-[3-(trifluoromethyl)phenyl]azanium
• SMILES: C[N+](C)(C)c1cccc(C(F)(F)F)c1.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.[H+]
• InChI: InChI=1S/C24BF20.C10H13F3N/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;1-14(2,3)9-6-4-5-8(7-9)10(11,12)13/h;4-7H,1-3H3/q-1;+1/p+1
• InChIKey: GCIWCVIGJXKCDY-UHFFFAOYSA-O
• XLogP: 8.86
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.26
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of hydron;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;trimethyl-[3-(trifluoromethyl)phenyl]azanium?

The IUPAC name of hydron;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;trimethyl-[3-(trifluoromethyl)phenyl]azanium (CID 158213447) is hydron;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;trimethyl-[3-(trifluoromethyl)phenyl]azanium.

What is the SMILES notation for hydron;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;trimethyl-[3-(trifluoromethyl)phenyl]azanium?

The canonical SMILES for hydron;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;trimethyl-[3-(trifluoromethyl)phenyl]azanium is C[N+](C)(C)c1cccc(C(F)(F)F)c1.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.[H+].

What is the InChIKey of hydron;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;trimethyl-[3-(trifluoromethyl)phenyl]azanium?

The InChIKey is GCIWCVIGJXKCDY-UHFFFAOYSA-O. The full InChI is InChI=1S/C24BF20.C10H13F3N/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;1-14(2,3)9-6-4-5-8(7-9)10(11,12)13/h;4-7H,1-3H3/q-1;+1/p+1.

What are the key properties of hydron;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;trimethyl-[3-(trifluoromethyl)phenyl]azanium?

hydron;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;trimethyl-[3-(trifluoromethyl)phenyl]azanium has a molecular weight of 884.26 g/mol, XLogP of 8.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for hydron;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;trimethyl-[3-(trifluoromethyl)phenyl]azanium is sourced from PubChem (CID 158213447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).