bis(2-dimethylphosphanylethyl(dimethyl)phosphane) ditetrafluoroborate

C12H32B2F8P4-2 — CID 173421683

IUPACbis(2-dimethylphosphanylethyl(dimethyl)phosphane) ditetrafluoroborate
SMILESCP(C)CCP(C)C.CP(C)CCP(C)C.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/2C6H16P2.2BF4/c2*1-7(2)5-6-8(3)4;2*2-1(3,4)5/h2*5-6H2,1-4H3;;/q;;2*-1
InChIKeyUPGUJJXKKZIJJR-UHFFFAOYSA-N
MW473.89 g/mol
LogP7.54
Rot. Bonds6

About bis(2-dimethylphosphanylethyl(dimethyl)phosphane) ditetrafluoroborate

bis(2-dimethylphosphanylethyl(dimethyl)phosphane) ditetrafluoroborate (PubChem CID 173421683) has the molecular formula C12H32B2F8P4-2 and a molecular weight of 473.89 g/mol. Its IUPAC name is bis(2-dimethylphosphanylethyl(dimethyl)phosphane) ditetrafluoroborate.

Molecular Properties

Compound Namebis(2-dimethylphosphanylethyl(dimethyl)phosphane) ditetrafluoroborate
PubChem CID173421683
Molecular FormulaC12H32B2F8P4-2
Molecular Weight473.89 g/mol
Exact Mass474.15
IUPAC Namebis(2-dimethylphosphanylethyl(dimethyl)phosphane) ditetrafluoroborate
SMILESCP(C)CCP(C)C.CP(C)CCP(C)C.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/2C6H16P2.2BF4/c2*1-7(2)5-6-8(3)4;2*2-1(3,4)5/h2*5-6H2,1-4H3;;/q;;2*-1
InChIKeyUPGUJJXKKZIJJR-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.89
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-dimethylphosphanylethyl(dimethyl)phosphane) ditetrafluoroborate?
The IUPAC name of bis(2-dimethylphosphanylethyl(dimethyl)phosphane) ditetrafluoroborate (CID 173421683) is bis(2-dimethylphosphanylethyl(dimethyl)phosphane) ditetrafluoroborate.
What is the SMILES notation for bis(2-dimethylphosphanylethyl(dimethyl)phosphane) ditetrafluoroborate?
The canonical SMILES for bis(2-dimethylphosphanylethyl(dimethyl)phosphane) ditetrafluoroborate is CP(C)CCP(C)C.CP(C)CCP(C)C.F[B-](F)(F)F.F[B-](F)(F)F.
What is the InChIKey of bis(2-dimethylphosphanylethyl(dimethyl)phosphane) ditetrafluoroborate?
The InChIKey is UPGUJJXKKZIJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H16P2.2BF4/c2*1-7(2)5-6-8(3)4;2*2-1(3,4)5/h2*5-6H2,1-4H3;;/q;;2*-1.
What are the key properties of bis(2-dimethylphosphanylethyl(dimethyl)phosphane) ditetrafluoroborate?
bis(2-dimethylphosphanylethyl(dimethyl)phosphane) ditetrafluoroborate has a molecular weight of 473.89 g/mol, XLogP of 7.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-dimethylphosphanylethyl(dimethyl)phosphane) ditetrafluoroborate is sourced from PubChem (CID 173421683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).