2-ethyl-4,6-dimethylpyrylium hexafluorophosphate

C9H13F6OP — CID 134910969

IUPAC2-ethyl-4,6-dimethylpyrylium hexafluorophosphate
SMILESCCc1cc(C)cc(C)[o+]1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H13O.F6P/c1-4-9-6-7(2)5-8(3)10-9;1-7(2,3,4,5)6/h5-6H,4H2,1-3H3;/q+1;-1
InChIKeyRTGFHRWVKMOJMB-UHFFFAOYSA-N
MW282.16 g/mol
LogP6.12
Rot. Bonds1

About 2-ethyl-4,6-dimethylpyrylium hexafluorophosphate

2-ethyl-4,6-dimethylpyrylium hexafluorophosphate (PubChem CID 134910969) has the molecular formula C9H13F6OP and a molecular weight of 282.16 g/mol. Its IUPAC name is 2-ethyl-4,6-dimethylpyrylium hexafluorophosphate.

Molecular Properties

Compound Name2-ethyl-4,6-dimethylpyrylium hexafluorophosphate
PubChem CID134910969
Molecular FormulaC9H13F6OP
Molecular Weight282.16 g/mol
Exact Mass282.06
IUPAC Name2-ethyl-4,6-dimethylpyrylium hexafluorophosphate
SMILESCCc1cc(C)cc(C)[o+]1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H13O.F6P/c1-4-9-6-7(2)5-8(3)10-9;1-7(2,3,4,5)6/h5-6H,4H2,1-3H3;/q+1;-1
InChIKeyRTGFHRWVKMOJMB-UHFFFAOYSA-N
XLogP6.12
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.16
LogP ≤ 56.12
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-ethyl-4,6-dimethylpyrylium hexafluorophosphate?
The IUPAC name of 2-ethyl-4,6-dimethylpyrylium hexafluorophosphate (CID 134910969) is 2-ethyl-4,6-dimethylpyrylium hexafluorophosphate.
What is the SMILES notation for 2-ethyl-4,6-dimethylpyrylium hexafluorophosphate?
The canonical SMILES for 2-ethyl-4,6-dimethylpyrylium hexafluorophosphate is CCc1cc(C)cc(C)[o+]1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 2-ethyl-4,6-dimethylpyrylium hexafluorophosphate?
The InChIKey is RTGFHRWVKMOJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O.F6P/c1-4-9-6-7(2)5-8(3)10-9;1-7(2,3,4,5)6/h5-6H,4H2,1-3H3;/q+1;-1.
What are the key properties of 2-ethyl-4,6-dimethylpyrylium hexafluorophosphate?
2-ethyl-4,6-dimethylpyrylium hexafluorophosphate has a molecular weight of 282.16 g/mol, XLogP of 6.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,6-dimethylpyrylium hexafluorophosphate is sourced from PubChem (CID 134910969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).