1-ethyl-1-methylpyrrolidin-1-ium hexafluorophosphate

C7H16F6NP — CID 23082568

IUPAC1-ethyl-1-methylpyrrolidin-1-ium hexafluorophosphate
SMILESCC[N+]1(C)CCCC1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C7H16N.F6P/c1-3-8(2)6-4-5-7-8;1-7(2,3,4,5)6/h3-7H2,1-2H3;/q+1;-1
InChIKeyWSYWUTMEDIHQRK-UHFFFAOYSA-N
MW259.17 g/mol
LogP4.63
Rot. Bonds1

About 1-ethyl-1-methylpyrrolidin-1-ium hexafluorophosphate

1-ethyl-1-methylpyrrolidin-1-ium hexafluorophosphate (PubChem CID 23082568) has the molecular formula C7H16F6NP and a molecular weight of 259.17 g/mol. Its IUPAC name is 1-ethyl-1-methylpyrrolidin-1-ium hexafluorophosphate.

Molecular Properties

Compound Name1-ethyl-1-methylpyrrolidin-1-ium hexafluorophosphate
PubChem CID23082568
Molecular FormulaC7H16F6NP
Molecular Weight259.17 g/mol
Exact Mass259.09
IUPAC Name1-ethyl-1-methylpyrrolidin-1-ium hexafluorophosphate
SMILESCC[N+]1(C)CCCC1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C7H16N.F6P/c1-3-8(2)6-4-5-7-8;1-7(2,3,4,5)6/h3-7H2,1-2H3;/q+1;-1
InChIKeyWSYWUTMEDIHQRK-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-ethyl-1-methylpyrrolidin-1-ium hexafluorophosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methylpyrrolidin-1-ium hexafluorophosphate?
The IUPAC name of 1-ethyl-1-methylpyrrolidin-1-ium hexafluorophosphate (CID 23082568) is 1-ethyl-1-methylpyrrolidin-1-ium hexafluorophosphate.
What is the SMILES notation for 1-ethyl-1-methylpyrrolidin-1-ium hexafluorophosphate?
The canonical SMILES for 1-ethyl-1-methylpyrrolidin-1-ium hexafluorophosphate is CC[N+]1(C)CCCC1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1-ethyl-1-methylpyrrolidin-1-ium hexafluorophosphate?
The InChIKey is WSYWUTMEDIHQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N.F6P/c1-3-8(2)6-4-5-7-8;1-7(2,3,4,5)6/h3-7H2,1-2H3;/q+1;-1.
What are the key properties of 1-ethyl-1-methylpyrrolidin-1-ium hexafluorophosphate?
1-ethyl-1-methylpyrrolidin-1-ium hexafluorophosphate has a molecular weight of 259.17 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methylpyrrolidin-1-ium hexafluorophosphate is sourced from PubChem (CID 23082568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).