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

C5H7F3O5P+ — CID 130464323

IUPACmethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium
SMILESCOC(=O)OC([P+](=O)OC)C(F)(F)F
InChIInChI=1S/C5H7F3O5P/c1-11-4(9)13-3(5(6,7)8)14(10)12-2/h3H,1-2H3/q+1
InChIKeyLYOVKXCHAXWEQK-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.05
Rot. Bonds3

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

methoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium (PubChem CID 130464323) has the molecular formula C5H7F3O5P+ and a molecular weight of 235.07 g/mol. Its IUPAC name is methoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium.

Molecular Properties

Compound Namemethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium
PubChem CID130464323
Molecular FormulaC5H7F3O5P+
Molecular Weight235.07 g/mol
Exact Mass235.00
IUPAC Namemethoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium
SMILESCOC(=O)OC([P+](=O)OC)C(F)(F)F
InChIInChI=1S/C5H7F3O5P/c1-11-4(9)13-3(5(6,7)8)14(10)12-2/h3H,1-2H3/q+1
InChIKeyLYOVKXCHAXWEQK-UHFFFAOYSA-N
XLogP2.05
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.05
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-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium?
The IUPAC name of methoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium (CID 130464323) is methoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium.
What is the SMILES notation for methoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium?
The canonical SMILES for methoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium is COC(=O)OC([P+](=O)OC)C(F)(F)F.
What is the InChIKey of methoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium?
The InChIKey is LYOVKXCHAXWEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O5P/c1-11-4(9)13-3(5(6,7)8)14(10)12-2/h3H,1-2H3/q+1.
What are the key properties of methoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium?
methoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium has a molecular weight of 235.07 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-oxo-(2,2,2-trifluoro-1-methoxycarbonyloxyethyl)phosphanium is sourced from PubChem (CID 130464323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).