hydron;tetrakis(2,3-difluorophenyl)boranuide

C24H13BF8 — CID 140553745

IUPAChydron;tetrakis(2,3-difluorophenyl)boranuide
SMILESFc1cccc([B-](c2cccc(F)c2F)(c2cccc(F)c2F)c2cccc(F)c2F)c1F.[H+]
InChIInChI=1S/C24H12BF8/c26-17-9-1-5-13(21(17)30)25(14-6-2-10-18(27)22(14)31,15-7-3-11-19(28)23(15)32)16-8-4-12-20(29)24(16)33/h1-12H/q-1/p+1
InChIKeyMCYPJCZCCZUJJI-UHFFFAOYSA-O
MW464.16 g/mol
LogP4.29
Rot. Bonds4

About hydron;tetrakis(2,3-difluorophenyl)boranuide

hydron;tetrakis(2,3-difluorophenyl)boranuide (PubChem CID 140553745) has the molecular formula C24H13BF8 and a molecular weight of 464.16 g/mol. Its IUPAC name is hydron;tetrakis(2,3-difluorophenyl)boranuide.

Molecular Properties

Compound Namehydron;tetrakis(2,3-difluorophenyl)boranuide
PubChem CID140553745
Molecular FormulaC24H13BF8
Molecular Weight464.16 g/mol
Exact Mass464.10
IUPAC Namehydron;tetrakis(2,3-difluorophenyl)boranuide
SMILESFc1cccc([B-](c2cccc(F)c2F)(c2cccc(F)c2F)c2cccc(F)c2F)c1F.[H+]
InChIInChI=1S/C24H12BF8/c26-17-9-1-5-13(21(17)30)25(14-6-2-10-18(27)22(14)31,15-7-3-11-19(28)23(15)32)16-8-4-12-20(29)24(16)33/h1-12H/q-1/p+1
InChIKeyMCYPJCZCCZUJJI-UHFFFAOYSA-O
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.16
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 15147
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1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
1-chloro-2,3-difluorobenzene
CID 157449386
[(1R)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 124510602
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
1H-pyrrole;1,2,3-trifluorobenzene
CID 175102094
(2,3-difluorophenyl)-fluoromethanesulfonamide
CID 90425501
2,3-difluorophenol;2,3,5,6-tetrafluorobenzene-1,4-diol
CID 174546410
(2,3-difluorophenyl)methanamine
CID 2736941
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137

Frequently Asked Questions

What is the IUPAC name of hydron;tetrakis(2,3-difluorophenyl)boranuide?
The IUPAC name of hydron;tetrakis(2,3-difluorophenyl)boranuide (CID 140553745) is hydron;tetrakis(2,3-difluorophenyl)boranuide.
What is the SMILES notation for hydron;tetrakis(2,3-difluorophenyl)boranuide?
The canonical SMILES for hydron;tetrakis(2,3-difluorophenyl)boranuide is Fc1cccc([B-](c2cccc(F)c2F)(c2cccc(F)c2F)c2cccc(F)c2F)c1F.[H+].
What is the InChIKey of hydron;tetrakis(2,3-difluorophenyl)boranuide?
The InChIKey is MCYPJCZCCZUJJI-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H12BF8/c26-17-9-1-5-13(21(17)30)25(14-6-2-10-18(27)22(14)31,15-7-3-11-19(28)23(15)32)16-8-4-12-20(29)24(16)33/h1-12H/q-1/p+1.
What are the key properties of hydron;tetrakis(2,3-difluorophenyl)boranuide?
hydron;tetrakis(2,3-difluorophenyl)boranuide has a molecular weight of 464.16 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;tetrakis(2,3-difluorophenyl)boranuide is sourced from PubChem (CID 140553745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).