[3,5-di(propan-2-yl)phenyl]phosphanium tetrafluoroborate

C12H20BF4P — CID 161167553

IUPAC[3,5-di(propan-2-yl)phenyl]phosphanium tetrafluoroborate
SMILESCC(C)c1cc([PH3+])cc(C(C)C)c1.F[B-](F)(F)F
InChIInChI=1S/C12H19P.BF4/c1-8(2)10-5-11(9(3)4)7-12(13)6-10;2-1(3,4)5/h5-9H,13H2,1-4H3;/q;-1/p+1
InChIKeyUQTBTKILTKEDKB-UHFFFAOYSA-O
MW282.07 g/mol
LogP4.47
Rot. Bonds2

About [3,5-di(propan-2-yl)phenyl]phosphanium tetrafluoroborate

[3,5-di(propan-2-yl)phenyl]phosphanium tetrafluoroborate (PubChem CID 161167553) has the molecular formula C12H20BF4P and a molecular weight of 282.07 g/mol. Its IUPAC name is [3,5-di(propan-2-yl)phenyl]phosphanium tetrafluoroborate.

Molecular Properties

Compound Name[3,5-di(propan-2-yl)phenyl]phosphanium tetrafluoroborate
PubChem CID161167553
Molecular FormulaC12H20BF4P
Molecular Weight282.07 g/mol
Exact Mass282.13
IUPAC Name[3,5-di(propan-2-yl)phenyl]phosphanium tetrafluoroborate
SMILESCC(C)c1cc([PH3+])cc(C(C)C)c1.F[B-](F)(F)F
InChIInChI=1S/C12H19P.BF4/c1-8(2)10-5-11(9(3)4)7-12(13)6-10;2-1(3,4)5/h5-9H,13H2,1-4H3;/q;-1/p+1
InChIKeyUQTBTKILTKEDKB-UHFFFAOYSA-O
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.07
LogP ≤ 54.47
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 [3,5-di(propan-2-yl)phenyl]phosphanium tetrafluoroborate?
The IUPAC name of [3,5-di(propan-2-yl)phenyl]phosphanium tetrafluoroborate (CID 161167553) is [3,5-di(propan-2-yl)phenyl]phosphanium tetrafluoroborate.
What is the SMILES notation for [3,5-di(propan-2-yl)phenyl]phosphanium tetrafluoroborate?
The canonical SMILES for [3,5-di(propan-2-yl)phenyl]phosphanium tetrafluoroborate is CC(C)c1cc([PH3+])cc(C(C)C)c1.F[B-](F)(F)F.
What is the InChIKey of [3,5-di(propan-2-yl)phenyl]phosphanium tetrafluoroborate?
The InChIKey is UQTBTKILTKEDKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H19P.BF4/c1-8(2)10-5-11(9(3)4)7-12(13)6-10;2-1(3,4)5/h5-9H,13H2,1-4H3;/q;-1/p+1.
What are the key properties of [3,5-di(propan-2-yl)phenyl]phosphanium tetrafluoroborate?
[3,5-di(propan-2-yl)phenyl]phosphanium tetrafluoroborate has a molecular weight of 282.07 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-di(propan-2-yl)phenyl]phosphanium tetrafluoroborate is sourced from PubChem (CID 161167553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).