2,6-diethyl-4-methylpyrylium hexafluorophosphate

C10H15F6OP — CID 134909693

IUPAC2,6-diethyl-4-methylpyrylium hexafluorophosphate
SMILESCCc1cc(C)cc(CC)[o+]1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C10H15O.F6P/c1-4-9-6-8(3)7-10(5-2)11-9;1-7(2,3,4,5)6/h6-7H,4-5H2,1-3H3;/q+1;-1
InChIKeyKZOFWFAGTCTLBF-UHFFFAOYSA-N
MW296.19 g/mol
LogP6.38
Rot. Bonds2

About 2,6-diethyl-4-methylpyrylium hexafluorophosphate

2,6-diethyl-4-methylpyrylium hexafluorophosphate (PubChem CID 134909693) has the molecular formula C10H15F6OP and a molecular weight of 296.19 g/mol. Its IUPAC name is 2,6-diethyl-4-methylpyrylium hexafluorophosphate.

Molecular Properties

Compound Name2,6-diethyl-4-methylpyrylium hexafluorophosphate
PubChem CID134909693
Molecular FormulaC10H15F6OP
Molecular Weight296.19 g/mol
Exact Mass296.08
IUPAC Name2,6-diethyl-4-methylpyrylium hexafluorophosphate
SMILESCCc1cc(C)cc(CC)[o+]1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C10H15O.F6P/c1-4-9-6-8(3)7-10(5-2)11-9;1-7(2,3,4,5)6/h6-7H,4-5H2,1-3H3;/q+1;-1
InChIKeyKZOFWFAGTCTLBF-UHFFFAOYSA-N
XLogP6.38
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.19
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4-methylpyrylium hexafluorophosphate?
The IUPAC name of 2,6-diethyl-4-methylpyrylium hexafluorophosphate (CID 134909693) is 2,6-diethyl-4-methylpyrylium hexafluorophosphate.
What is the SMILES notation for 2,6-diethyl-4-methylpyrylium hexafluorophosphate?
The canonical SMILES for 2,6-diethyl-4-methylpyrylium hexafluorophosphate is CCc1cc(C)cc(CC)[o+]1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 2,6-diethyl-4-methylpyrylium hexafluorophosphate?
The InChIKey is KZOFWFAGTCTLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O.F6P/c1-4-9-6-8(3)7-10(5-2)11-9;1-7(2,3,4,5)6/h6-7H,4-5H2,1-3H3;/q+1;-1.
What are the key properties of 2,6-diethyl-4-methylpyrylium hexafluorophosphate?
2,6-diethyl-4-methylpyrylium hexafluorophosphate has a molecular weight of 296.19 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4-methylpyrylium hexafluorophosphate is sourced from PubChem (CID 134909693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).