(4-fluorophenyl)phosphanium tetrafluoroborate

C6H7BF5P — CID 174967480

IUPAC(4-fluorophenyl)phosphanium tetrafluoroborate
SMILESF[B-](F)(F)F.Fc1ccc([PH3+])cc1
InChIInChI=1S/C6H6FP.BF4/c7-5-1-3-6(8)4-2-5;2-1(3,4)5/h1-4H,8H2;/q;-1/p+1
InChIKeyHMJVUOCKYLWTSK-UHFFFAOYSA-O
MW215.90 g/mol
LogP2.36
Rot. Bonds

About (4-fluorophenyl)phosphanium tetrafluoroborate

(4-fluorophenyl)phosphanium tetrafluoroborate (PubChem CID 174967480) has the molecular formula C6H7BF5P and a molecular weight of 215.90 g/mol. Its IUPAC name is (4-fluorophenyl)phosphanium tetrafluoroborate.

Molecular Properties

Compound Name(4-fluorophenyl)phosphanium tetrafluoroborate
PubChem CID174967480
Molecular FormulaC6H7BF5P
Molecular Weight215.90 g/mol
Exact Mass216.03
IUPAC Name(4-fluorophenyl)phosphanium tetrafluoroborate
SMILESF[B-](F)(F)F.Fc1ccc([PH3+])cc1
InChIInChI=1S/C6H6FP.BF4/c7-5-1-3-6(8)4-2-5;2-1(3,4)5/h1-4H,8H2;/q;-1/p+1
InChIKeyHMJVUOCKYLWTSK-UHFFFAOYSA-O
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.90
LogP ≤ 52.36
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 (4-fluorophenyl)phosphanium tetrafluoroborate?
The IUPAC name of (4-fluorophenyl)phosphanium tetrafluoroborate (CID 174967480) is (4-fluorophenyl)phosphanium tetrafluoroborate.
What is the SMILES notation for (4-fluorophenyl)phosphanium tetrafluoroborate?
The canonical SMILES for (4-fluorophenyl)phosphanium tetrafluoroborate is F[B-](F)(F)F.Fc1ccc([PH3+])cc1.
What is the InChIKey of (4-fluorophenyl)phosphanium tetrafluoroborate?
The InChIKey is HMJVUOCKYLWTSK-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H6FP.BF4/c7-5-1-3-6(8)4-2-5;2-1(3,4)5/h1-4H,8H2;/q;-1/p+1.
What are the key properties of (4-fluorophenyl)phosphanium tetrafluoroborate?
(4-fluorophenyl)phosphanium tetrafluoroborate has a molecular weight of 215.90 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)phosphanium tetrafluoroborate is sourced from PubChem (CID 174967480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).