ethoxy-oxo-[3-oxo-2-(trifluoromethyl)butyl]phosphanium

C7H11F3O3P+ — CID 130464058

IUPACethoxy-oxo-[3-oxo-2-(trifluoromethyl)butyl]phosphanium
SMILESCCO[P+](=O)CC(C(C)=O)C(F)(F)F
InChIInChI=1S/C7H11F3O3P/c1-3-13-14(12)4-6(5(2)11)7(8,9)10/h6H,3-4H2,1-2H3/q+1
InChIKeyZFMRVIUWAAJTSQ-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.53
Rot. Bonds5

About ethoxy-oxo-[3-oxo-2-(trifluoromethyl)butyl]phosphanium

ethoxy-oxo-[3-oxo-2-(trifluoromethyl)butyl]phosphanium (PubChem CID 130464058) has the molecular formula C7H11F3O3P+ and a molecular weight of 231.13 g/mol. Its IUPAC name is ethoxy-oxo-[3-oxo-2-(trifluoromethyl)butyl]phosphanium.

Molecular Properties

Compound Nameethoxy-oxo-[3-oxo-2-(trifluoromethyl)butyl]phosphanium
PubChem CID130464058
Molecular FormulaC7H11F3O3P+
Molecular Weight231.13 g/mol
Exact Mass231.04
IUPAC Nameethoxy-oxo-[3-oxo-2-(trifluoromethyl)butyl]phosphanium
SMILESCCO[P+](=O)CC(C(C)=O)C(F)(F)F
InChIInChI=1S/C7H11F3O3P/c1-3-13-14(12)4-6(5(2)11)7(8,9)10/h6H,3-4H2,1-2H3/q+1
InChIKeyZFMRVIUWAAJTSQ-UHFFFAOYSA-N
XLogP2.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.53
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 ethoxy-oxo-[3-oxo-2-(trifluoromethyl)butyl]phosphanium?
The IUPAC name of ethoxy-oxo-[3-oxo-2-(trifluoromethyl)butyl]phosphanium (CID 130464058) is ethoxy-oxo-[3-oxo-2-(trifluoromethyl)butyl]phosphanium.
What is the SMILES notation for ethoxy-oxo-[3-oxo-2-(trifluoromethyl)butyl]phosphanium?
The canonical SMILES for ethoxy-oxo-[3-oxo-2-(trifluoromethyl)butyl]phosphanium is CCO[P+](=O)CC(C(C)=O)C(F)(F)F.
What is the InChIKey of ethoxy-oxo-[3-oxo-2-(trifluoromethyl)butyl]phosphanium?
The InChIKey is ZFMRVIUWAAJTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O3P/c1-3-13-14(12)4-6(5(2)11)7(8,9)10/h6H,3-4H2,1-2H3/q+1.
What are the key properties of ethoxy-oxo-[3-oxo-2-(trifluoromethyl)butyl]phosphanium?
ethoxy-oxo-[3-oxo-2-(trifluoromethyl)butyl]phosphanium has a molecular weight of 231.13 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-[3-oxo-2-(trifluoromethyl)butyl]phosphanium is sourced from PubChem (CID 130464058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).