diethylaminomethylidene(diethyl)azanium hexafluorophosphate

C9H21F6N2P — CID 86651392

IUPACdiethylaminomethylidene(diethyl)azanium hexafluorophosphate
SMILESCCN(C=[N+](CC)CC)CC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H21N2.F6P/c1-5-10(6-2)9-11(7-3)8-4;1-7(2,3,4,5)6/h9H,5-8H2,1-4H3;/q+1;-1
InChIKeyNMAHOVYHAIMWIO-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.79
Rot. Bonds5

About diethylaminomethylidene(diethyl)azanium hexafluorophosphate

diethylaminomethylidene(diethyl)azanium hexafluorophosphate (PubChem CID 86651392) has the molecular formula C9H21F6N2P and a molecular weight of 302.24 g/mol. Its IUPAC name is diethylaminomethylidene(diethyl)azanium hexafluorophosphate.

Molecular Properties

Compound Namediethylaminomethylidene(diethyl)azanium hexafluorophosphate
PubChem CID86651392
Molecular FormulaC9H21F6N2P
Molecular Weight302.24 g/mol
Exact Mass302.13
IUPAC Namediethylaminomethylidene(diethyl)azanium hexafluorophosphate
SMILESCCN(C=[N+](CC)CC)CC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H21N2.F6P/c1-5-10(6-2)9-11(7-3)8-4;1-7(2,3,4,5)6/h9H,5-8H2,1-4H3;/q+1;-1
InChIKeyNMAHOVYHAIMWIO-UHFFFAOYSA-N
XLogP4.79
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethylaminomethylidene(diethyl)azanium hexafluorophosphate?
The IUPAC name of diethylaminomethylidene(diethyl)azanium hexafluorophosphate (CID 86651392) is diethylaminomethylidene(diethyl)azanium hexafluorophosphate.
What is the SMILES notation for diethylaminomethylidene(diethyl)azanium hexafluorophosphate?
The canonical SMILES for diethylaminomethylidene(diethyl)azanium hexafluorophosphate is CCN(C=[N+](CC)CC)CC.F[P-](F)(F)(F)(F)F.
What is the InChIKey of diethylaminomethylidene(diethyl)azanium hexafluorophosphate?
The InChIKey is NMAHOVYHAIMWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2.F6P/c1-5-10(6-2)9-11(7-3)8-4;1-7(2,3,4,5)6/h9H,5-8H2,1-4H3;/q+1;-1.
What are the key properties of diethylaminomethylidene(diethyl)azanium hexafluorophosphate?
diethylaminomethylidene(diethyl)azanium hexafluorophosphate has a molecular weight of 302.24 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylaminomethylidene(diethyl)azanium hexafluorophosphate is sourced from PubChem (CID 86651392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).