diethyl-methyl-(2-methylpropyl)phosphanium hexafluorophosphate

C9H22F6P2 — CID 139121174

IUPACdiethyl-methyl-(2-methylpropyl)phosphanium hexafluorophosphate
SMILESCC[P+](C)(CC)CC(C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H22P.F6P/c1-6-10(5,7-2)8-9(3)4;1-7(2,3,4,5)6/h9H,6-8H2,1-5H3;/q+1;-1
InChIKeyUCTLAYOLWJZGNJ-UHFFFAOYSA-N
MW306.21 g/mol
LogP6.71
Rot. Bonds4

About diethyl-methyl-(2-methylpropyl)phosphanium hexafluorophosphate

diethyl-methyl-(2-methylpropyl)phosphanium hexafluorophosphate (PubChem CID 139121174) has the molecular formula C9H22F6P2 and a molecular weight of 306.21 g/mol. Its IUPAC name is diethyl-methyl-(2-methylpropyl)phosphanium hexafluorophosphate.

Molecular Properties

Compound Namediethyl-methyl-(2-methylpropyl)phosphanium hexafluorophosphate
PubChem CID139121174
Molecular FormulaC9H22F6P2
Molecular Weight306.21 g/mol
Exact Mass306.11
IUPAC Namediethyl-methyl-(2-methylpropyl)phosphanium hexafluorophosphate
SMILESCC[P+](C)(CC)CC(C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H22P.F6P/c1-6-10(5,7-2)8-9(3)4;1-7(2,3,4,5)6/h9H,6-8H2,1-5H3;/q+1;-1
InChIKeyUCTLAYOLWJZGNJ-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.21
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-(2-methylpropyl)phosphanium hexafluorophosphate?
The IUPAC name of diethyl-methyl-(2-methylpropyl)phosphanium hexafluorophosphate (CID 139121174) is diethyl-methyl-(2-methylpropyl)phosphanium hexafluorophosphate.
What is the SMILES notation for diethyl-methyl-(2-methylpropyl)phosphanium hexafluorophosphate?
The canonical SMILES for diethyl-methyl-(2-methylpropyl)phosphanium hexafluorophosphate is CC[P+](C)(CC)CC(C)C.F[P-](F)(F)(F)(F)F.
What is the InChIKey of diethyl-methyl-(2-methylpropyl)phosphanium hexafluorophosphate?
The InChIKey is UCTLAYOLWJZGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22P.F6P/c1-6-10(5,7-2)8-9(3)4;1-7(2,3,4,5)6/h9H,6-8H2,1-5H3;/q+1;-1.
What are the key properties of diethyl-methyl-(2-methylpropyl)phosphanium hexafluorophosphate?
diethyl-methyl-(2-methylpropyl)phosphanium hexafluorophosphate has a molecular weight of 306.21 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-(2-methylpropyl)phosphanium hexafluorophosphate is sourced from PubChem (CID 139121174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).