1-iodopropyl(trimethyl)azanium hexafluorophosphate

C6H15F6INP — CID 137354126

IUPAC1-iodopropyl(trimethyl)azanium hexafluorophosphate
SMILESCCC(I)[N+](C)(C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C6H15IN.F6P/c1-5-6(7)8(2,3)4;1-7(2,3,4,5)6/h6H,5H2,1-4H3;/q+1;-1
InChIKeyCLLZJPDAWNJPLG-UHFFFAOYSA-N
MW373.06 g/mol
LogP5.25
Rot. Bonds2

About 1-iodopropyl(trimethyl)azanium hexafluorophosphate

1-iodopropyl(trimethyl)azanium hexafluorophosphate (PubChem CID 137354126) has the molecular formula C6H15F6INP and a molecular weight of 373.06 g/mol. Its IUPAC name is 1-iodopropyl(trimethyl)azanium hexafluorophosphate.

Molecular Properties

Compound Name1-iodopropyl(trimethyl)azanium hexafluorophosphate
PubChem CID137354126
Molecular FormulaC6H15F6INP
Molecular Weight373.06 g/mol
Exact Mass372.99
IUPAC Name1-iodopropyl(trimethyl)azanium hexafluorophosphate
SMILESCCC(I)[N+](C)(C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C6H15IN.F6P/c1-5-6(7)8(2,3)4;1-7(2,3,4,5)6/h6H,5H2,1-4H3;/q+1;-1
InChIKeyCLLZJPDAWNJPLG-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.06
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodopropyl(trimethyl)azanium hexafluorophosphate?
The IUPAC name of 1-iodopropyl(trimethyl)azanium hexafluorophosphate (CID 137354126) is 1-iodopropyl(trimethyl)azanium hexafluorophosphate.
What is the SMILES notation for 1-iodopropyl(trimethyl)azanium hexafluorophosphate?
The canonical SMILES for 1-iodopropyl(trimethyl)azanium hexafluorophosphate is CCC(I)[N+](C)(C)C.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1-iodopropyl(trimethyl)azanium hexafluorophosphate?
The InChIKey is CLLZJPDAWNJPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15IN.F6P/c1-5-6(7)8(2,3)4;1-7(2,3,4,5)6/h6H,5H2,1-4H3;/q+1;-1.
What are the key properties of 1-iodopropyl(trimethyl)azanium hexafluorophosphate?
1-iodopropyl(trimethyl)azanium hexafluorophosphate has a molecular weight of 373.06 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodopropyl(trimethyl)azanium hexafluorophosphate is sourced from PubChem (CID 137354126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).