tetrakis(3,5-difluorophenyl)boranuide

C24H12BF8- — CID 11320769

IUPACtetrakis(3,5-difluorophenyl)boranuide
SMILESFc1cc(F)cc([B-](c2cc(F)cc(F)c2)(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C24H12BF8/c26-17-1-13(2-18(27)9-17)25(14-3-19(28)10-20(29)4-14,15-5-21(30)11-22(31)6-15)16-7-23(32)12-24(33)8-16/h1-12H/q-1
InChIKeyGOUQAUQJGPJUOD-UHFFFAOYSA-N
MW463.16 g/mol
LogP4.18
Rot. Bonds4

About tetrakis(3,5-difluorophenyl)boranuide

tetrakis(3,5-difluorophenyl)boranuide (PubChem CID 11320769) has the molecular formula C24H12BF8- and a molecular weight of 463.16 g/mol. Its IUPAC name is tetrakis(3,5-difluorophenyl)boranuide.

Molecular Properties

Compound Nametetrakis(3,5-difluorophenyl)boranuide
PubChem CID11320769
Molecular FormulaC24H12BF8-
Molecular Weight463.16 g/mol
Exact Mass463.09
IUPAC Nametetrakis(3,5-difluorophenyl)boranuide
SMILESFc1cc(F)cc([B-](c2cc(F)cc(F)c2)(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C24H12BF8/c26-17-1-13(2-18(27)9-17)25(14-3-19(28)10-20(29)4-14,15-5-21(30)11-22(31)6-15)16-7-23(32)12-24(33)8-16/h1-12H/q-1
InChIKeyGOUQAUQJGPJUOD-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.16
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(3,5-difluorophenyl)boranuide?
The IUPAC name of tetrakis(3,5-difluorophenyl)boranuide (CID 11320769) is tetrakis(3,5-difluorophenyl)boranuide.
What is the SMILES notation for tetrakis(3,5-difluorophenyl)boranuide?
The canonical SMILES for tetrakis(3,5-difluorophenyl)boranuide is Fc1cc(F)cc([B-](c2cc(F)cc(F)c2)(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1.
What is the InChIKey of tetrakis(3,5-difluorophenyl)boranuide?
The InChIKey is GOUQAUQJGPJUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12BF8/c26-17-1-13(2-18(27)9-17)25(14-3-19(28)10-20(29)4-14,15-5-21(30)11-22(31)6-15)16-7-23(32)12-24(33)8-16/h1-12H/q-1.
What are the key properties of tetrakis(3,5-difluorophenyl)boranuide?
tetrakis(3,5-difluorophenyl)boranuide has a molecular weight of 463.16 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3,5-difluorophenyl)boranuide is sourced from PubChem (CID 11320769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).