naphthalen-2-ylphosphanium tetrafluoroborate

C10H10BF4P — CID 141397702

IUPACnaphthalen-2-ylphosphanium tetrafluoroborate
SMILESF[B-](F)(F)F.[PH3+]c1ccc2ccccc2c1
InChIInChI=1S/C10H9P.BF4/c11-10-6-5-8-3-1-2-4-9(8)7-10;2-1(3,4)5/h1-7H,11H2;/q;-1/p+1
InChIKeyGZVCFBSHVQIYGK-UHFFFAOYSA-O
MW247.97 g/mol
LogP3.37
Rot. Bonds

About naphthalen-2-ylphosphanium tetrafluoroborate

naphthalen-2-ylphosphanium tetrafluoroborate (PubChem CID 141397702) has the molecular formula C10H10BF4P and a molecular weight of 247.97 g/mol. Its IUPAC name is naphthalen-2-ylphosphanium tetrafluoroborate.

Molecular Properties

Compound Namenaphthalen-2-ylphosphanium tetrafluoroborate
PubChem CID141397702
Molecular FormulaC10H10BF4P
Molecular Weight247.97 g/mol
Exact Mass248.05
IUPAC Namenaphthalen-2-ylphosphanium tetrafluoroborate
SMILESF[B-](F)(F)F.[PH3+]c1ccc2ccccc2c1
InChIInChI=1S/C10H9P.BF4/c11-10-6-5-8-3-1-2-4-9(8)7-10;2-1(3,4)5/h1-7H,11H2;/q;-1/p+1
InChIKeyGZVCFBSHVQIYGK-UHFFFAOYSA-O
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.97
LogP ≤ 53.37
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 naphthalen-2-ylphosphanium tetrafluoroborate?
The IUPAC name of naphthalen-2-ylphosphanium tetrafluoroborate (CID 141397702) is naphthalen-2-ylphosphanium tetrafluoroborate.
What is the SMILES notation for naphthalen-2-ylphosphanium tetrafluoroborate?
The canonical SMILES for naphthalen-2-ylphosphanium tetrafluoroborate is F[B-](F)(F)F.[PH3+]c1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-ylphosphanium tetrafluoroborate?
The InChIKey is GZVCFBSHVQIYGK-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H9P.BF4/c11-10-6-5-8-3-1-2-4-9(8)7-10;2-1(3,4)5/h1-7H,11H2;/q;-1/p+1.
What are the key properties of naphthalen-2-ylphosphanium tetrafluoroborate?
naphthalen-2-ylphosphanium tetrafluoroborate has a molecular weight of 247.97 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylphosphanium tetrafluoroborate is sourced from PubChem (CID 141397702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).