oxo-phenoxy-(2,2,2-trifluoroethoxy)phosphanium

C8H7F3O3P+ — CID 157259236

IUPACoxo-phenoxy-(2,2,2-trifluoroethoxy)phosphanium
SMILESO=[P+](OCC(F)(F)F)Oc1ccccc1
InChIInChI=1S/C8H7F3O3P/c9-8(10,11)6-13-15(12)14-7-4-2-1-3-5-7/h1-5H,6H2/q+1
InChIKeyQAGBVIVFIJHHSS-UHFFFAOYSA-N
MW239.11 g/mol
LogP3.30
Rot. Bonds4

About oxo-phenoxy-(2,2,2-trifluoroethoxy)phosphanium

oxo-phenoxy-(2,2,2-trifluoroethoxy)phosphanium (PubChem CID 157259236) has the molecular formula C8H7F3O3P+ and a molecular weight of 239.11 g/mol. Its IUPAC name is oxo-phenoxy-(2,2,2-trifluoroethoxy)phosphanium.

Molecular Properties

Compound Nameoxo-phenoxy-(2,2,2-trifluoroethoxy)phosphanium
PubChem CID157259236
Molecular FormulaC8H7F3O3P+
Molecular Weight239.11 g/mol
Exact Mass239.01
IUPAC Nameoxo-phenoxy-(2,2,2-trifluoroethoxy)phosphanium
SMILESO=[P+](OCC(F)(F)F)Oc1ccccc1
InChIInChI=1S/C8H7F3O3P/c9-8(10,11)6-13-15(12)14-7-4-2-1-3-5-7/h1-5H,6H2/q+1
InChIKeyQAGBVIVFIJHHSS-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

copper;oxo(diphenoxy)phosphanium
CID 158842365
cobalt;oxo(diphenoxy)phosphanium
CID 162036820
oxo-phenoxy-undecoxyphosphanium
CID 67392956
sulfuryl dichloride;2,2,2-trifluoroethoxybenzene
CID 87396424
oxo-phenoxy-phosphanylphosphanium
CID 154139481
oxo-phenoxy-sulfinooxyphosphanium
CID 69029369
bis(2-chloro-2,2-diphenylethoxy)-oxophosphanium
CID 57020602
phenol;2,2,2-trifluoroethoxybenzene
CID 174967121
chloromethyl-oxo-phenoxyphosphanium
CID 174746789
4-(2,2,2-trifluoroethoxy)butoxybenzene
CID 23282430
copper(1+);oxido-oxo-phenoxyphosphanium
CID 166721703
cerium;ethyl-oxo-phenoxyphosphanium
CID 174771782

Frequently Asked Questions

What is the IUPAC name of oxo-phenoxy-(2,2,2-trifluoroethoxy)phosphanium?
The IUPAC name of oxo-phenoxy-(2,2,2-trifluoroethoxy)phosphanium (CID 157259236) is oxo-phenoxy-(2,2,2-trifluoroethoxy)phosphanium.
What is the SMILES notation for oxo-phenoxy-(2,2,2-trifluoroethoxy)phosphanium?
The canonical SMILES for oxo-phenoxy-(2,2,2-trifluoroethoxy)phosphanium is O=[P+](OCC(F)(F)F)Oc1ccccc1.
What is the InChIKey of oxo-phenoxy-(2,2,2-trifluoroethoxy)phosphanium?
The InChIKey is QAGBVIVFIJHHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O3P/c9-8(10,11)6-13-15(12)14-7-4-2-1-3-5-7/h1-5H,6H2/q+1.
What are the key properties of oxo-phenoxy-(2,2,2-trifluoroethoxy)phosphanium?
oxo-phenoxy-(2,2,2-trifluoroethoxy)phosphanium has a molecular weight of 239.11 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-phenoxy-(2,2,2-trifluoroethoxy)phosphanium is sourced from PubChem (CID 157259236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).