2-diphenylphosphanylethylazanium;trifluoroborane;fluoride

C14H17BF4NP — CID 163196589

IUPAC2-diphenylphosphanylethylazanium;trifluoroborane;fluoride
SMILESFB(F)F.[F-].[NH3+]CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16NP.BF3.FH/c15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2-1(3)4;/h1-10H,11-12,15H2;;1H
InChIKeyBSQFFKOOHOTYMA-UHFFFAOYSA-N
MW317.08 g/mol
LogP-0.75
Rot. Bonds4

About 2-diphenylphosphanylethylazanium;trifluoroborane;fluoride

2-diphenylphosphanylethylazanium;trifluoroborane;fluoride (PubChem CID 163196589) has the molecular formula C14H17BF4NP and a molecular weight of 317.08 g/mol. Its IUPAC name is 2-diphenylphosphanylethylazanium;trifluoroborane;fluoride.

Molecular Properties

Compound Name2-diphenylphosphanylethylazanium;trifluoroborane;fluoride
PubChem CID163196589
Molecular FormulaC14H17BF4NP
Molecular Weight317.08 g/mol
Exact Mass317.11
IUPAC Name2-diphenylphosphanylethylazanium;trifluoroborane;fluoride
SMILESFB(F)F.[F-].[NH3+]CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16NP.BF3.FH/c15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2-1(3)4;/h1-10H,11-12,15H2;;1H
InChIKeyBSQFFKOOHOTYMA-UHFFFAOYSA-N
XLogP-0.75
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 ≤ 5-0.75
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;trifluoroborane;fluoride?
The IUPAC name of 2-diphenylphosphanylethylazanium;trifluoroborane;fluoride (CID 163196589) is 2-diphenylphosphanylethylazanium;trifluoroborane;fluoride.
What is the SMILES notation for 2-diphenylphosphanylethylazanium;trifluoroborane;fluoride?
The canonical SMILES for 2-diphenylphosphanylethylazanium;trifluoroborane;fluoride is FB(F)F.[F-].[NH3+]CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanylethylazanium;trifluoroborane;fluoride?
The InChIKey is BSQFFKOOHOTYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NP.BF3.FH/c15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2-1(3)4;/h1-10H,11-12,15H2;;1H.
What are the key properties of 2-diphenylphosphanylethylazanium;trifluoroborane;fluoride?
2-diphenylphosphanylethylazanium;trifluoroborane;fluoride has a molecular weight of 317.08 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylethylazanium;trifluoroborane;fluoride is sourced from PubChem (CID 163196589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).