tris(3,4-difluorophenyl)bismuthane

C18H9BiF6 — CID 87591031

IUPACtris(3,4-difluorophenyl)bismuthane
SMILESFc1ccc([Bi](c2ccc(F)c(F)c2)c2ccc(F)c(F)c2)cc1F
InChIInChI=1S/3C6H3F2.Bi/c3*7-5-3-1-2-4-6(5)8;/h3*1,3-4H;
InChIKeyCQTRMCBYHHHSDI-UHFFFAOYSA-N
MW548.24 g/mol
LogP3.04
Rot. Bonds3

About tris(3,4-difluorophenyl)bismuthane

tris(3,4-difluorophenyl)bismuthane (PubChem CID 87591031) has the molecular formula C18H9BiF6 and a molecular weight of 548.24 g/mol. Its IUPAC name is tris(3,4-difluorophenyl)bismuthane.

Molecular Properties

Compound Nametris(3,4-difluorophenyl)bismuthane
PubChem CID87591031
Molecular FormulaC18H9BiF6
Molecular Weight548.24 g/mol
Exact Mass548.04
IUPAC Nametris(3,4-difluorophenyl)bismuthane
SMILESFc1ccc([Bi](c2ccc(F)c(F)c2)c2ccc(F)c(F)c2)cc1F
InChIInChI=1S/3C6H3F2.Bi/c3*7-5-3-1-2-4-6(5)8;/h3*1,3-4H;
InChIKeyCQTRMCBYHHHSDI-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tris(3,4-difluorophenyl)bismuthane?
The IUPAC name of tris(3,4-difluorophenyl)bismuthane (CID 87591031) is tris(3,4-difluorophenyl)bismuthane.
What is the SMILES notation for tris(3,4-difluorophenyl)bismuthane?
The canonical SMILES for tris(3,4-difluorophenyl)bismuthane is Fc1ccc([Bi](c2ccc(F)c(F)c2)c2ccc(F)c(F)c2)cc1F.
What is the InChIKey of tris(3,4-difluorophenyl)bismuthane?
The InChIKey is CQTRMCBYHHHSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H3F2.Bi/c3*7-5-3-1-2-4-6(5)8;/h3*1,3-4H;.
What are the key properties of tris(3,4-difluorophenyl)bismuthane?
tris(3,4-difluorophenyl)bismuthane has a molecular weight of 548.24 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,4-difluorophenyl)bismuthane is sourced from PubChem (CID 87591031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).