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

C5H5F3O5P+ — CID 130463881

IUPACmethoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium
SMILESCO[P+](=O)C1OC(=O)OC1C(F)(F)F
InChIInChI=1S/C5H5F3O5P/c1-11-14(10)3-2(5(6,7)8)12-4(9)13-3/h2-3H,1H3/q+1
InChIKeyWXQYCHXBNHHYOK-UHFFFAOYSA-N
MW233.06 g/mol
LogP1.80
Rot. Bonds2

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

methoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium (PubChem CID 130463881) has the molecular formula C5H5F3O5P+ and a molecular weight of 233.06 g/mol. Its IUPAC name is methoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium.

Molecular Properties

Compound Namemethoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium
PubChem CID130463881
Molecular FormulaC5H5F3O5P+
Molecular Weight233.06 g/mol
Exact Mass232.98
IUPAC Namemethoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium
SMILESCO[P+](=O)C1OC(=O)OC1C(F)(F)F
InChIInChI=1S/C5H5F3O5P/c1-11-14(10)3-2(5(6,7)8)12-4(9)13-3/h2-3H,1H3/q+1
InChIKeyWXQYCHXBNHHYOK-UHFFFAOYSA-N
XLogP1.80
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 51.80
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 methoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium?
The IUPAC name of methoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium (CID 130463881) is methoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium.
What is the SMILES notation for methoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium?
The canonical SMILES for methoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium is CO[P+](=O)C1OC(=O)OC1C(F)(F)F.
What is the InChIKey of methoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium?
The InChIKey is WXQYCHXBNHHYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O5P/c1-11-14(10)3-2(5(6,7)8)12-4(9)13-3/h2-3H,1H3/q+1.
What are the key properties of methoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium?
methoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium has a molecular weight of 233.06 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-oxo-[2-oxo-5-(trifluoromethyl)-1,3-dioxolan-4-yl]phosphanium is sourced from PubChem (CID 130463881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).