ethoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium

C6H7F3O5P+ — CID 130463962

IUPACethoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium
SMILESCCO[P+](=O)C1OC(=O)OC1C(F)(F)F
InChIInChI=1S/C6H7F3O5P/c1-2-12-15(11)4-3(6(7,8)9)13-5(10)14-4/h3-4H,2H2,1H3/q+1
InChIKeyOANIECTUXRQZJC-UHFFFAOYSA-N
MW247.08 g/mol
LogP2.19
Rot. Bonds3

About ethoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium

ethoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium (PubChem CID 130463962) has the molecular formula C6H7F3O5P+ and a molecular weight of 247.08 g/mol. Its IUPAC name is ethoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium.

Molecular Properties

Compound Nameethoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium
PubChem CID130463962
Molecular FormulaC6H7F3O5P+
Molecular Weight247.08 g/mol
Exact Mass247.00
IUPAC Nameethoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium
SMILESCCO[P+](=O)C1OC(=O)OC1C(F)(F)F
InChIInChI=1S/C6H7F3O5P/c1-2-12-15(11)4-3(6(7,8)9)13-5(10)14-4/h3-4H,2H2,1H3/q+1
InChIKeyOANIECTUXRQZJC-UHFFFAOYSA-N
XLogP2.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium?
The IUPAC name of ethoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium (CID 130463962) is ethoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium.
What is the SMILES notation for ethoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium?
The canonical SMILES for ethoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium is CCO[P+](=O)C1OC(=O)OC1C(F)(F)F.
What is the InChIKey of ethoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium?
The InChIKey is OANIECTUXRQZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O5P/c1-2-12-15(11)4-3(6(7,8)9)13-5(10)14-4/h3-4H,2H2,1H3/q+1.
What are the key properties of ethoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium?
ethoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium has a molecular weight of 247.08 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium is sourced from PubChem (CID 130463962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).