oxo-bis(2,2,2-trifluoroethoxy)phosphanium

C4H4F6O3P+ — CID 6386648

IUPACoxo-bis(2,2,2-trifluoroethoxy)phosphanium
SMILESO=[P+](OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C4H4F6O3P/c5-3(6,7)1-12-14(11)13-2-4(8,9)10/h1-2H2/q+1
InChIKeyIMDCVAFSSZPRRM-UHFFFAOYSA-N
MW245.03 g/mol
LogP2.80
Rot. Bonds4

About oxo-bis(2,2,2-trifluoroethoxy)phosphanium

oxo-bis(2,2,2-trifluoroethoxy)phosphanium (PubChem CID 6386648) has the molecular formula C4H4F6O3P+ and a molecular weight of 245.03 g/mol. Its IUPAC name is oxo-bis(2,2,2-trifluoroethoxy)phosphanium.

Molecular Properties

Compound Nameoxo-bis(2,2,2-trifluoroethoxy)phosphanium
PubChem CID6386648
Molecular FormulaC4H4F6O3P+
Molecular Weight245.03 g/mol
Exact Mass244.98
IUPAC Nameoxo-bis(2,2,2-trifluoroethoxy)phosphanium
SMILESO=[P+](OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C4H4F6O3P/c5-3(6,7)1-12-14(11)13-2-4(8,9)10/h1-2H2/q+1
InChIKeyIMDCVAFSSZPRRM-UHFFFAOYSA-N
XLogP2.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.03
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo-bis(2,2,2-trifluoroethoxy)phosphanium?
The IUPAC name of oxo-bis(2,2,2-trifluoroethoxy)phosphanium (CID 6386648) is oxo-bis(2,2,2-trifluoroethoxy)phosphanium.
What is the SMILES notation for oxo-bis(2,2,2-trifluoroethoxy)phosphanium?
The canonical SMILES for oxo-bis(2,2,2-trifluoroethoxy)phosphanium is O=[P+](OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of oxo-bis(2,2,2-trifluoroethoxy)phosphanium?
The InChIKey is IMDCVAFSSZPRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O3P/c5-3(6,7)1-12-14(11)13-2-4(8,9)10/h1-2H2/q+1.
What are the key properties of oxo-bis(2,2,2-trifluoroethoxy)phosphanium?
oxo-bis(2,2,2-trifluoroethoxy)phosphanium has a molecular weight of 245.03 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(2,2,2-trifluoroethoxy)phosphanium is sourced from PubChem (CID 6386648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).