ditert-butyl(phenyl)phosphanium tetrafluoroborate

C14H24BF4P — CID 11220595

IUPACditert-butyl(phenyl)phosphanium tetrafluoroborate
SMILESCC(C)(C)[PH+](c1ccccc1)C(C)(C)C.F[B-](F)(F)F
InChIInChI=1S/C14H23P.BF4/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;2-1(3,4)5/h7-11H,1-6H3;/q;-1/p+1
InChIKeyHRDPEVWZXUWEFR-UHFFFAOYSA-O
MW310.12 g/mol
LogP5.42
Rot. Bonds1

About ditert-butyl(phenyl)phosphanium tetrafluoroborate

ditert-butyl(phenyl)phosphanium tetrafluoroborate (PubChem CID 11220595) has the molecular formula C14H24BF4P and a molecular weight of 310.12 g/mol. Its IUPAC name is ditert-butyl(phenyl)phosphanium tetrafluoroborate.

Molecular Properties

Compound Nameditert-butyl(phenyl)phosphanium tetrafluoroborate
PubChem CID11220595
Molecular FormulaC14H24BF4P
Molecular Weight310.12 g/mol
Exact Mass310.16
IUPAC Nameditert-butyl(phenyl)phosphanium tetrafluoroborate
SMILESCC(C)(C)[PH+](c1ccccc1)C(C)(C)C.F[B-](F)(F)F
InChIInChI=1S/C14H23P.BF4/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;2-1(3,4)5/h7-11H,1-6H3;/q;-1/p+1
InChIKeyHRDPEVWZXUWEFR-UHFFFAOYSA-O
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.12
LogP ≤ 55.42
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 ditert-butyl(phenyl)phosphanium tetrafluoroborate?
The IUPAC name of ditert-butyl(phenyl)phosphanium tetrafluoroborate (CID 11220595) is ditert-butyl(phenyl)phosphanium tetrafluoroborate.
What is the SMILES notation for ditert-butyl(phenyl)phosphanium tetrafluoroborate?
The canonical SMILES for ditert-butyl(phenyl)phosphanium tetrafluoroborate is CC(C)(C)[PH+](c1ccccc1)C(C)(C)C.F[B-](F)(F)F.
What is the InChIKey of ditert-butyl(phenyl)phosphanium tetrafluoroborate?
The InChIKey is HRDPEVWZXUWEFR-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23P.BF4/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;2-1(3,4)5/h7-11H,1-6H3;/q;-1/p+1.
What are the key properties of ditert-butyl(phenyl)phosphanium tetrafluoroborate?
ditert-butyl(phenyl)phosphanium tetrafluoroborate has a molecular weight of 310.12 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(phenyl)phosphanium tetrafluoroborate is sourced from PubChem (CID 11220595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).