bismuth tris(3-fluorobenzoate)

C21H12BiF3O6 — CID 132504465

IUPACbismuth tris(3-fluorobenzoate)
SMILESO=C([O-])c1cccc(F)c1.O=C([O-])c1cccc(F)c1.O=C([O-])c1cccc(F)c1.[Bi+3]
InChIInChI=1S/3C7H5FO2.Bi/c3*8-6-3-1-2-5(4-6)7(9)10;/h3*1-4H,(H,9,10);/q;;;+3/p-3
InChIKeyUJAVVHGCFVRYKC-UHFFFAOYSA-K
MW626.30 g/mol
LogP0.19
Rot. Bonds3

About bismuth tris(3-fluorobenzoate)

bismuth tris(3-fluorobenzoate) (PubChem CID 132504465) has the molecular formula C21H12BiF3O6 and a molecular weight of 626.30 g/mol. Its IUPAC name is bismuth tris(3-fluorobenzoate).

Molecular Properties

Compound Namebismuth tris(3-fluorobenzoate)
PubChem CID132504465
Molecular FormulaC21H12BiF3O6
Molecular Weight626.30 g/mol
Exact Mass626.04
IUPAC Namebismuth tris(3-fluorobenzoate)
SMILESO=C([O-])c1cccc(F)c1.O=C([O-])c1cccc(F)c1.O=C([O-])c1cccc(F)c1.[Bi+3]
InChIInChI=1S/3C7H5FO2.Bi/c3*8-6-3-1-2-5(4-6)7(9)10;/h3*1-4H,(H,9,10);/q;;;+3/p-3
InChIKeyUJAVVHGCFVRYKC-UHFFFAOYSA-K
XLogP0.19
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.30
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bismuth tris(3-fluorobenzoate)?
The IUPAC name of bismuth tris(3-fluorobenzoate) (CID 132504465) is bismuth tris(3-fluorobenzoate).
What is the SMILES notation for bismuth tris(3-fluorobenzoate)?
The canonical SMILES for bismuth tris(3-fluorobenzoate) is O=C([O-])c1cccc(F)c1.O=C([O-])c1cccc(F)c1.O=C([O-])c1cccc(F)c1.[Bi+3].
What is the InChIKey of bismuth tris(3-fluorobenzoate)?
The InChIKey is UJAVVHGCFVRYKC-UHFFFAOYSA-K. The full InChI is InChI=1S/3C7H5FO2.Bi/c3*8-6-3-1-2-5(4-6)7(9)10;/h3*1-4H,(H,9,10);/q;;;+3/p-3.
What are the key properties of bismuth tris(3-fluorobenzoate)?
bismuth tris(3-fluorobenzoate) has a molecular weight of 626.30 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth tris(3-fluorobenzoate) is sourced from PubChem (CID 132504465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).