potassium oxido-oxo-(1,1,2,2,2-pentafluoroethoxy)phosphanium

C2F5KO3P+ — CID 172796390

IUPACpotassium oxido-oxo-(1,1,2,2,2-pentafluoroethoxy)phosphanium
SMILESO=[P+]([O-])OC(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C2F5O3P.K/c3-1(4,5)2(6,7)10-11(8)9;/q;+1
InChIKeyRHSDJMPYZMWJLL-UHFFFAOYSA-N
MW237.08 g/mol
LogP-1.82
Rot. Bonds2

About potassium oxido-oxo-(1,1,2,2,2-pentafluoroethoxy)phosphanium

potassium oxido-oxo-(1,1,2,2,2-pentafluoroethoxy)phosphanium (PubChem CID 172796390) has the molecular formula C2F5KO3P+ and a molecular weight of 237.08 g/mol. Its IUPAC name is potassium oxido-oxo-(1,1,2,2,2-pentafluoroethoxy)phosphanium.

Molecular Properties

Compound Namepotassium oxido-oxo-(1,1,2,2,2-pentafluoroethoxy)phosphanium
PubChem CID172796390
Molecular FormulaC2F5KO3P+
Molecular Weight237.08 g/mol
Exact Mass236.91
IUPAC Namepotassium oxido-oxo-(1,1,2,2,2-pentafluoroethoxy)phosphanium
SMILESO=[P+]([O-])OC(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C2F5O3P.K/c3-1(4,5)2(6,7)10-11(8)9;/q;+1
InChIKeyRHSDJMPYZMWJLL-UHFFFAOYSA-N
XLogP-1.82
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.08
LogP ≤ 5-1.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium oxido-oxo-(1,1,2,2,2-pentafluoroethoxy)phosphanium?
The IUPAC name of potassium oxido-oxo-(1,1,2,2,2-pentafluoroethoxy)phosphanium (CID 172796390) is potassium oxido-oxo-(1,1,2,2,2-pentafluoroethoxy)phosphanium.
What is the SMILES notation for potassium oxido-oxo-(1,1,2,2,2-pentafluoroethoxy)phosphanium?
The canonical SMILES for potassium oxido-oxo-(1,1,2,2,2-pentafluoroethoxy)phosphanium is O=[P+]([O-])OC(F)(F)C(F)(F)F.[K+].
What is the InChIKey of potassium oxido-oxo-(1,1,2,2,2-pentafluoroethoxy)phosphanium?
The InChIKey is RHSDJMPYZMWJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F5O3P.K/c3-1(4,5)2(6,7)10-11(8)9;/q;+1.
What are the key properties of potassium oxido-oxo-(1,1,2,2,2-pentafluoroethoxy)phosphanium?
potassium oxido-oxo-(1,1,2,2,2-pentafluoroethoxy)phosphanium has a molecular weight of 237.08 g/mol, XLogP of -1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium oxido-oxo-(1,1,2,2,2-pentafluoroethoxy)phosphanium is sourced from PubChem (CID 172796390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).