methoxy-oxo-(2,2,2-trifluoro-1-methoxyethyl)phosphanium

C4H7F3O3P+ — CID 130464327

IUPACmethoxy-oxo-(2,2,2-trifluoro-1-methoxyethyl)phosphanium
SMILESCOC([P+](=O)OC)C(F)(F)F
InChIInChI=1S/C4H7F3O3P/c1-9-3(4(5,6)7)11(8)10-2/h3H,1-2H3/q+1
InChIKeyXUTOQOJCVOZBFL-UHFFFAOYSA-N
MW191.06 g/mol
LogP1.91
Rot. Bonds3

About methoxy-oxo-(2,2,2-trifluoro-1-methoxyethyl)phosphanium

methoxy-oxo-(2,2,2-trifluoro-1-methoxyethyl)phosphanium (PubChem CID 130464327) has the molecular formula C4H7F3O3P+ and a molecular weight of 191.06 g/mol. Its IUPAC name is methoxy-oxo-(2,2,2-trifluoro-1-methoxyethyl)phosphanium.

Molecular Properties

Compound Namemethoxy-oxo-(2,2,2-trifluoro-1-methoxyethyl)phosphanium
PubChem CID130464327
Molecular FormulaC4H7F3O3P+
Molecular Weight191.06 g/mol
Exact Mass191.01
IUPAC Namemethoxy-oxo-(2,2,2-trifluoro-1-methoxyethyl)phosphanium
SMILESCOC([P+](=O)OC)C(F)(F)F
InChIInChI=1S/C4H7F3O3P/c1-9-3(4(5,6)7)11(8)10-2/h3H,1-2H3/q+1
InChIKeyXUTOQOJCVOZBFL-UHFFFAOYSA-N
XLogP1.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 51.91
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-trifluoro-1-methoxyethyl)phosphanium?
The IUPAC name of methoxy-oxo-(2,2,2-trifluoro-1-methoxyethyl)phosphanium (CID 130464327) is methoxy-oxo-(2,2,2-trifluoro-1-methoxyethyl)phosphanium.
What is the SMILES notation for methoxy-oxo-(2,2,2-trifluoro-1-methoxyethyl)phosphanium?
The canonical SMILES for methoxy-oxo-(2,2,2-trifluoro-1-methoxyethyl)phosphanium is COC([P+](=O)OC)C(F)(F)F.
What is the InChIKey of methoxy-oxo-(2,2,2-trifluoro-1-methoxyethyl)phosphanium?
The InChIKey is XUTOQOJCVOZBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O3P/c1-9-3(4(5,6)7)11(8)10-2/h3H,1-2H3/q+1.
What are the key properties of methoxy-oxo-(2,2,2-trifluoro-1-methoxyethyl)phosphanium?
methoxy-oxo-(2,2,2-trifluoro-1-methoxyethyl)phosphanium has a molecular weight of 191.06 g/mol, XLogP of 1.91, 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-trifluoro-1-methoxyethyl)phosphanium is sourced from PubChem (CID 130464327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).