1,2,3,3,4,5-hexamethylpyrrol-1-ium;methane;hexafluorophosphate

C11H22F6NP — CID 159648092

IUPAC1,2,3,3,4,5-hexamethylpyrrol-1-ium;methane;hexafluorophosphate
SMILESC.CC1=C(C)C(C)(C)C(C)=[N+]1C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C10H18N.CH4.F6P/c1-7-8(2)11(6)9(3)10(7,4)5;;1-7(2,3,4,5)6/h1-6H3;1H4;/q+1;;-1
InChIKeyHHROYANOENBYFH-UHFFFAOYSA-N
MW313.27 g/mol
LogP6.44
Rot. Bonds

About 1,2,3,3,4,5-hexamethylpyrrol-1-ium;methane;hexafluorophosphate

1,2,3,3,4,5-hexamethylpyrrol-1-ium;methane;hexafluorophosphate (PubChem CID 159648092) has the molecular formula C11H22F6NP and a molecular weight of 313.27 g/mol. Its IUPAC name is 1,2,3,3,4,5-hexamethylpyrrol-1-ium;methane;hexafluorophosphate.

Molecular Properties

Compound Name1,2,3,3,4,5-hexamethylpyrrol-1-ium;methane;hexafluorophosphate
PubChem CID159648092
Molecular FormulaC11H22F6NP
Molecular Weight313.27 g/mol
Exact Mass313.14
IUPAC Name1,2,3,3,4,5-hexamethylpyrrol-1-ium;methane;hexafluorophosphate
SMILESC.CC1=C(C)C(C)(C)C(C)=[N+]1C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C10H18N.CH4.F6P/c1-7-8(2)11(6)9(3)10(7,4)5;;1-7(2,3,4,5)6/h1-6H3;1H4;/q+1;;-1
InChIKeyHHROYANOENBYFH-UHFFFAOYSA-N
XLogP6.44
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.27
LogP ≤ 56.44
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'}

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Related Compounds

1,2,3,3,4,5-Hexamethylpyrrol-1-ium
CID 21043311

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,5-hexamethylpyrrol-1-ium;methane;hexafluorophosphate?
The IUPAC name of 1,2,3,3,4,5-hexamethylpyrrol-1-ium;methane;hexafluorophosphate (CID 159648092) is 1,2,3,3,4,5-hexamethylpyrrol-1-ium;methane;hexafluorophosphate.
What is the SMILES notation for 1,2,3,3,4,5-hexamethylpyrrol-1-ium;methane;hexafluorophosphate?
The canonical SMILES for 1,2,3,3,4,5-hexamethylpyrrol-1-ium;methane;hexafluorophosphate is C.CC1=C(C)C(C)(C)C(C)=[N+]1C.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1,2,3,3,4,5-hexamethylpyrrol-1-ium;methane;hexafluorophosphate?
The InChIKey is HHROYANOENBYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N.CH4.F6P/c1-7-8(2)11(6)9(3)10(7,4)5;;1-7(2,3,4,5)6/h1-6H3;1H4;/q+1;;-1.
What are the key properties of 1,2,3,3,4,5-hexamethylpyrrol-1-ium;methane;hexafluorophosphate?
1,2,3,3,4,5-hexamethylpyrrol-1-ium;methane;hexafluorophosphate has a molecular weight of 313.27 g/mol, XLogP of 6.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,5-hexamethylpyrrol-1-ium;methane;hexafluorophosphate is sourced from PubChem (CID 159648092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).