tetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium)

C48H64B4F4N8O8 — CID 23103331

IUPACtetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium)
SMILESC[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/8C6H8N.4BFO2/c8*1-7-5-3-2-4-6-7;4*2-1(3)4/h8*2-6H,1H3;;;;/q8*+1;4*-2
InChIKeyPDVLMBPDJARUGK-UHFFFAOYSA-N
MW1000.33 g/mol
LogP-5.27
Rot. Bonds

About tetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium)

tetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium) (PubChem CID 23103331) has the molecular formula C48H64B4F4N8O8 and a molecular weight of 1000.33 g/mol. Its IUPAC name is tetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium).

Molecular Properties

Compound Nametetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium)
PubChem CID23103331
Molecular FormulaC48H64B4F4N8O8
Molecular Weight1000.33 g/mol
Exact Mass1000.52
IUPAC Nametetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium)
SMILESC[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/8C6H8N.4BFO2/c8*1-7-5-3-2-4-6-7;4*2-1(3)4/h8*2-6H,1H3;;;;/q8*+1;4*-2
InChIKeyPDVLMBPDJARUGK-UHFFFAOYSA-N
XLogP-5.27
TPSA215.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms72
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001000.33
LogP ≤ 5-5.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium)?
The IUPAC name of tetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium) (CID 23103331) is tetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium).
What is the SMILES notation for tetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium)?
The canonical SMILES for tetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium) is C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.
What is the InChIKey of tetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium)?
The InChIKey is PDVLMBPDJARUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/8C6H8N.4BFO2/c8*1-7-5-3-2-4-6-7;4*2-1(3)4/h8*2-6H,1H3;;;;/q8*+1;4*-2.
What are the key properties of tetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium)?
tetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium) has a molecular weight of 1000.33 g/mol, XLogP of -5.27, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium) is sourced from PubChem (CID 23103331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).