2-diphenylphosphanylethylazanium tetrafluoroborate

C14H17BF4NP — CID 71463643

IUPAC2-diphenylphosphanylethylazanium tetrafluoroborate
SMILESF[B-](F)(F)F.[NH3+]CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16NP.BF4/c15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2-1(3,4)5/h1-10H,11-12,15H2;/q;-1/p+1
InChIKeyACXZLRCRPLYXBQ-UHFFFAOYSA-O
MW317.08 g/mol
LogP2.66
Rot. Bonds4

About 2-diphenylphosphanylethylazanium tetrafluoroborate

2-diphenylphosphanylethylazanium tetrafluoroborate (PubChem CID 71463643) has the molecular formula C14H17BF4NP and a molecular weight of 317.08 g/mol. Its IUPAC name is 2-diphenylphosphanylethylazanium tetrafluoroborate.

Molecular Properties

Compound Name2-diphenylphosphanylethylazanium tetrafluoroborate
PubChem CID71463643
Molecular FormulaC14H17BF4NP
Molecular Weight317.08 g/mol
Exact Mass317.11
IUPAC Name2-diphenylphosphanylethylazanium tetrafluoroborate
SMILESF[B-](F)(F)F.[NH3+]CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16NP.BF4/c15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2-1(3,4)5/h1-10H,11-12,15H2;/q;-1/p+1
InChIKeyACXZLRCRPLYXBQ-UHFFFAOYSA-O
XLogP2.66
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.08
LogP ≤ 52.66
H-Bond Donors ≤ 51
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 2-diphenylphosphanylethylazanium tetrafluoroborate?
The IUPAC name of 2-diphenylphosphanylethylazanium tetrafluoroborate (CID 71463643) is 2-diphenylphosphanylethylazanium tetrafluoroborate.
What is the SMILES notation for 2-diphenylphosphanylethylazanium tetrafluoroborate?
The canonical SMILES for 2-diphenylphosphanylethylazanium tetrafluoroborate is F[B-](F)(F)F.[NH3+]CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanylethylazanium tetrafluoroborate?
The InChIKey is ACXZLRCRPLYXBQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H16NP.BF4/c15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2-1(3,4)5/h1-10H,11-12,15H2;/q;-1/p+1.
What are the key properties of 2-diphenylphosphanylethylazanium tetrafluoroborate?
2-diphenylphosphanylethylazanium tetrafluoroborate has a molecular weight of 317.08 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylethylazanium tetrafluoroborate is sourced from PubChem (CID 71463643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).