1-(4-methyloctyl)pyridin-1-ium hexafluorophosphate

C14H24F6NP — CID 175359710

IUPAC1-(4-methyloctyl)pyridin-1-ium hexafluorophosphate
SMILESCCCCC(C)CCC[n+]1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C14H24N.F6P/c1-3-4-9-14(2)10-8-13-15-11-6-5-7-12-15;1-7(2,3,4,5)6/h5-7,11-12,14H,3-4,8-10,13H2,1-2H3;/q+1;-1
InChIKeyMXCGAVIJLZZIJY-UHFFFAOYSA-N
MW351.32 g/mol
LogP6.96
Rot. Bonds7

About 1-(4-methyloctyl)pyridin-1-ium hexafluorophosphate

1-(4-methyloctyl)pyridin-1-ium hexafluorophosphate (PubChem CID 175359710) has the molecular formula C14H24F6NP and a molecular weight of 351.32 g/mol. Its IUPAC name is 1-(4-methyloctyl)pyridin-1-ium hexafluorophosphate.

Molecular Properties

Compound Name1-(4-methyloctyl)pyridin-1-ium hexafluorophosphate
PubChem CID175359710
Molecular FormulaC14H24F6NP
Molecular Weight351.32 g/mol
Exact Mass351.16
IUPAC Name1-(4-methyloctyl)pyridin-1-ium hexafluorophosphate
SMILESCCCCC(C)CCC[n+]1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C14H24N.F6P/c1-3-4-9-14(2)10-8-13-15-11-6-5-7-12-15;1-7(2,3,4,5)6/h5-7,11-12,14H,3-4,8-10,13H2,1-2H3;/q+1;-1
InChIKeyMXCGAVIJLZZIJY-UHFFFAOYSA-N
XLogP6.96
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.32
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(4-methyloctyl)pyridin-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

Related Compounds

1-[(4S)-4-methylpentadecyl]pyridin-1-ium iodide
CID 44597377
1-[(4S)-4-methylpentadecyl]pyridin-1-ium acetate
CID 44597381
1-dodecylpyridin-1-ium
CID 7718
1-pentylpyridin-1-ium;trihydrobromide
CID 174936866
tris(1-decylpyridin-1-ium);tribromide
CID 174755610
1-hexadecylpyridin-1-ium;sulfanide
CID 86272743
1-tetradecylpyridin-1-ium;hydrobromide
CID 123133914
bis(1-octylpyridin-1-ium) dibromide
CID 159443545
1-hexadecylpyridin-1-ium;hydrochloride
CID 22717447
1-butylpyridin-1-ium;chloroaluminum(2+)
CID 68542830
disodium;1-hexadecylpyridin-1-ium
CID 67644127
1-butylpyridin-1-ium;tetrachloroindiganuide
CID 16689404

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyloctyl)pyridin-1-ium hexafluorophosphate?
The IUPAC name of 1-(4-methyloctyl)pyridin-1-ium hexafluorophosphate (CID 175359710) is 1-(4-methyloctyl)pyridin-1-ium hexafluorophosphate.
What is the SMILES notation for 1-(4-methyloctyl)pyridin-1-ium hexafluorophosphate?
The canonical SMILES for 1-(4-methyloctyl)pyridin-1-ium hexafluorophosphate is CCCCC(C)CCC[n+]1ccccc1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1-(4-methyloctyl)pyridin-1-ium hexafluorophosphate?
The InChIKey is MXCGAVIJLZZIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N.F6P/c1-3-4-9-14(2)10-8-13-15-11-6-5-7-12-15;1-7(2,3,4,5)6/h5-7,11-12,14H,3-4,8-10,13H2,1-2H3;/q+1;-1.
What are the key properties of 1-(4-methyloctyl)pyridin-1-ium hexafluorophosphate?
1-(4-methyloctyl)pyridin-1-ium hexafluorophosphate has a molecular weight of 351.32 g/mol, XLogP of 6.96, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyloctyl)pyridin-1-ium hexafluorophosphate is sourced from PubChem (CID 175359710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).