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

C2H3F3O3P+ — CID 13168475

IUPAChydroxy-oxo-(2,2,2-trifluoroethoxy)phosphanium
SMILESO=[P+](O)OCC(F)(F)F
InChIInChI=1S/C2H2F3O3P/c3-2(4,5)1-8-9(6)7/h1H2/p+1
InChIKeyVQPDQWUEAGZIHA-UHFFFAOYSA-O
MW163.01 g/mol
LogP1.22
Rot. Bonds2

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

hydroxy-oxo-(2,2,2-trifluoroethoxy)phosphanium (PubChem CID 13168475) has the molecular formula C2H3F3O3P+ and a molecular weight of 163.01 g/mol. Its IUPAC name is hydroxy-oxo-(2,2,2-trifluoroethoxy)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(2,2,2-trifluoroethoxy)phosphanium
PubChem CID13168475
Molecular FormulaC2H3F3O3P+
Molecular Weight163.01 g/mol
Exact Mass162.98
IUPAC Namehydroxy-oxo-(2,2,2-trifluoroethoxy)phosphanium
SMILESO=[P+](O)OCC(F)(F)F
InChIInChI=1S/C2H2F3O3P/c3-2(4,5)1-8-9(6)7/h1H2/p+1
InChIKeyVQPDQWUEAGZIHA-UHFFFAOYSA-O
XLogP1.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.01
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(2,2,2-trifluoroethoxy)phosphanium?
The IUPAC name of hydroxy-oxo-(2,2,2-trifluoroethoxy)phosphanium (CID 13168475) is hydroxy-oxo-(2,2,2-trifluoroethoxy)phosphanium.
What is the SMILES notation for hydroxy-oxo-(2,2,2-trifluoroethoxy)phosphanium?
The canonical SMILES for hydroxy-oxo-(2,2,2-trifluoroethoxy)phosphanium is O=[P+](O)OCC(F)(F)F.
What is the InChIKey of hydroxy-oxo-(2,2,2-trifluoroethoxy)phosphanium?
The InChIKey is VQPDQWUEAGZIHA-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H2F3O3P/c3-2(4,5)1-8-9(6)7/h1H2/p+1.
What are the key properties of hydroxy-oxo-(2,2,2-trifluoroethoxy)phosphanium?
hydroxy-oxo-(2,2,2-trifluoroethoxy)phosphanium has a molecular weight of 163.01 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(2,2,2-trifluoroethoxy)phosphanium is sourced from PubChem (CID 13168475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).