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

C3H5F3O3P+ — CID 15685150

IUPACmethoxy-oxo-(2,2,2-trifluoroethoxy)phosphanium
SMILESCO[P+](=O)OCC(F)(F)F
InChIInChI=1S/C3H5F3O3P/c1-8-10(7)9-2-3(4,5)6/h2H2,1H3/q+1
InChIKeyBYZXAMUYGZPCIY-UHFFFAOYSA-N
MW177.04 g/mol
LogP1.87
Rot. Bonds3

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

methoxy-oxo-(2,2,2-trifluoroethoxy)phosphanium (PubChem CID 15685150) has the molecular formula C3H5F3O3P+ and a molecular weight of 177.04 g/mol. Its IUPAC name is methoxy-oxo-(2,2,2-trifluoroethoxy)phosphanium.

Molecular Properties

Compound Namemethoxy-oxo-(2,2,2-trifluoroethoxy)phosphanium
PubChem CID15685150
Molecular FormulaC3H5F3O3P+
Molecular Weight177.04 g/mol
Exact Mass176.99
IUPAC Namemethoxy-oxo-(2,2,2-trifluoroethoxy)phosphanium
SMILESCO[P+](=O)OCC(F)(F)F
InChIInChI=1S/C3H5F3O3P/c1-8-10(7)9-2-3(4,5)6/h2H2,1H3/q+1
InChIKeyBYZXAMUYGZPCIY-UHFFFAOYSA-N
XLogP1.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.04
LogP ≤ 51.87
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 methoxy-oxo-(2,2,2-trifluoroethoxy)phosphanium?
The IUPAC name of methoxy-oxo-(2,2,2-trifluoroethoxy)phosphanium (CID 15685150) is methoxy-oxo-(2,2,2-trifluoroethoxy)phosphanium.
What is the SMILES notation for methoxy-oxo-(2,2,2-trifluoroethoxy)phosphanium?
The canonical SMILES for methoxy-oxo-(2,2,2-trifluoroethoxy)phosphanium is CO[P+](=O)OCC(F)(F)F.
What is the InChIKey of methoxy-oxo-(2,2,2-trifluoroethoxy)phosphanium?
The InChIKey is BYZXAMUYGZPCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O3P/c1-8-10(7)9-2-3(4,5)6/h2H2,1H3/q+1.
What are the key properties of methoxy-oxo-(2,2,2-trifluoroethoxy)phosphanium?
methoxy-oxo-(2,2,2-trifluoroethoxy)phosphanium has a molecular weight of 177.04 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-oxo-(2,2,2-trifluoroethoxy)phosphanium is sourced from PubChem (CID 15685150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).