oxo-prop-2-ynoxy-(2,2,2-trifluoroethoxy)phosphanium

C5H5F3O3P+ — CID 121443361

IUPACoxo-prop-2-ynoxy-(2,2,2-trifluoroethoxy)phosphanium
SMILESC#CCO[P+](=O)OCC(F)(F)F
InChIInChI=1S/C5H5F3O3P/c1-2-3-10-12(9)11-4-5(6,7)8/h1H,3-4H2/q+1
InChIKeyIVHXYPBGNRWDKF-UHFFFAOYSA-N
MW201.06 g/mol
LogP1.87
Rot. Bonds4

About oxo-prop-2-ynoxy-(2,2,2-trifluoroethoxy)phosphanium

oxo-prop-2-ynoxy-(2,2,2-trifluoroethoxy)phosphanium (PubChem CID 121443361) has the molecular formula C5H5F3O3P+ and a molecular weight of 201.06 g/mol. Its IUPAC name is oxo-prop-2-ynoxy-(2,2,2-trifluoroethoxy)phosphanium.

Molecular Properties

Compound Nameoxo-prop-2-ynoxy-(2,2,2-trifluoroethoxy)phosphanium
PubChem CID121443361
Molecular FormulaC5H5F3O3P+
Molecular Weight201.06 g/mol
Exact Mass200.99
IUPAC Nameoxo-prop-2-ynoxy-(2,2,2-trifluoroethoxy)phosphanium
SMILESC#CCO[P+](=O)OCC(F)(F)F
InChIInChI=1S/C5H5F3O3P/c1-2-3-10-12(9)11-4-5(6,7)8/h1H,3-4H2/q+1
InChIKeyIVHXYPBGNRWDKF-UHFFFAOYSA-N
XLogP1.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo-prop-2-ynoxy-(2,2,2-trifluoroethoxy)phosphanium?
The IUPAC name of oxo-prop-2-ynoxy-(2,2,2-trifluoroethoxy)phosphanium (CID 121443361) is oxo-prop-2-ynoxy-(2,2,2-trifluoroethoxy)phosphanium.
What is the SMILES notation for oxo-prop-2-ynoxy-(2,2,2-trifluoroethoxy)phosphanium?
The canonical SMILES for oxo-prop-2-ynoxy-(2,2,2-trifluoroethoxy)phosphanium is C#CCO[P+](=O)OCC(F)(F)F.
What is the InChIKey of oxo-prop-2-ynoxy-(2,2,2-trifluoroethoxy)phosphanium?
The InChIKey is IVHXYPBGNRWDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O3P/c1-2-3-10-12(9)11-4-5(6,7)8/h1H,3-4H2/q+1.
What are the key properties of oxo-prop-2-ynoxy-(2,2,2-trifluoroethoxy)phosphanium?
oxo-prop-2-ynoxy-(2,2,2-trifluoroethoxy)phosphanium has a molecular weight of 201.06 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-prop-2-ynoxy-(2,2,2-trifluoroethoxy)phosphanium is sourced from PubChem (CID 121443361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).