dichloro-[3-(trifluoromethyl)phenyl]bismuthane

C7H4BiCl2F3 — CID 134897489

IUPACdichloro-[3-(trifluoromethyl)phenyl]bismuthane
SMILESFC(F)(F)c1cccc([Bi](Cl)Cl)c1
InChIInChI=1S/C7H4F3.Bi.2ClH/c8-7(9,10)6-4-2-1-3-5-6;;;/h1-2,4-5H;;2*1H/q;+2;;/p-2
InChIKeyPIOBJMFYFOCFRX-UHFFFAOYSA-L
MW424.99 g/mol
LogP2.88
Rot. Bonds1

About dichloro-[3-(trifluoromethyl)phenyl]bismuthane

dichloro-[3-(trifluoromethyl)phenyl]bismuthane (PubChem CID 134897489) has the molecular formula C7H4BiCl2F3 and a molecular weight of 424.99 g/mol. Its IUPAC name is dichloro-[3-(trifluoromethyl)phenyl]bismuthane.

Molecular Properties

Compound Namedichloro-[3-(trifluoromethyl)phenyl]bismuthane
PubChem CID134897489
Molecular FormulaC7H4BiCl2F3
Molecular Weight424.99 g/mol
Exact Mass423.94
IUPAC Namedichloro-[3-(trifluoromethyl)phenyl]bismuthane
SMILESFC(F)(F)c1cccc([Bi](Cl)Cl)c1
InChIInChI=1S/C7H4F3.Bi.2ClH/c8-7(9,10)6-4-2-1-3-5-6;;;/h1-2,4-5H;;2*1H/q;+2;;/p-2
InChIKeyPIOBJMFYFOCFRX-UHFFFAOYSA-L
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.99
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dichloro-[3-(trifluoromethyl)phenyl]bismuthane?
The IUPAC name of dichloro-[3-(trifluoromethyl)phenyl]bismuthane (CID 134897489) is dichloro-[3-(trifluoromethyl)phenyl]bismuthane.
What is the SMILES notation for dichloro-[3-(trifluoromethyl)phenyl]bismuthane?
The canonical SMILES for dichloro-[3-(trifluoromethyl)phenyl]bismuthane is FC(F)(F)c1cccc([Bi](Cl)Cl)c1.
What is the InChIKey of dichloro-[3-(trifluoromethyl)phenyl]bismuthane?
The InChIKey is PIOBJMFYFOCFRX-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H4F3.Bi.2ClH/c8-7(9,10)6-4-2-1-3-5-6;;;/h1-2,4-5H;;2*1H/q;+2;;/p-2.
What are the key properties of dichloro-[3-(trifluoromethyl)phenyl]bismuthane?
dichloro-[3-(trifluoromethyl)phenyl]bismuthane has a molecular weight of 424.99 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[3-(trifluoromethyl)phenyl]bismuthane is sourced from PubChem (CID 134897489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).