[4-bromo-3-(trifluoromethyl)phenoxy]-(fluoromethoxy)-oxophosphanium

C8H5BrF4O3P+ — CID 67753022

IUPAC[4-bromo-3-(trifluoromethyl)phenoxy]-(fluoromethoxy)-oxophosphanium
SMILESO=[P+](OCF)Oc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C8H5BrF4O3P/c9-7-2-1-5(16-17(14)15-4-10)3-6(7)8(11,12)13/h1-3H,4H2/q+1
InChIKeyRMZASTFXYLLSSC-UHFFFAOYSA-N
MW336.00 g/mol
LogP4.45
Rot. Bonds4

About [4-bromo-3-(trifluoromethyl)phenoxy]-(fluoromethoxy)-oxophosphanium

[4-bromo-3-(trifluoromethyl)phenoxy]-(fluoromethoxy)-oxophosphanium (PubChem CID 67753022) has the molecular formula C8H5BrF4O3P+ and a molecular weight of 336.00 g/mol. Its IUPAC name is [4-bromo-3-(trifluoromethyl)phenoxy]-(fluoromethoxy)-oxophosphanium.

Molecular Properties

Compound Name[4-bromo-3-(trifluoromethyl)phenoxy]-(fluoromethoxy)-oxophosphanium
PubChem CID67753022
Molecular FormulaC8H5BrF4O3P+
Molecular Weight336.00 g/mol
Exact Mass334.91
IUPAC Name[4-bromo-3-(trifluoromethyl)phenoxy]-(fluoromethoxy)-oxophosphanium
SMILESO=[P+](OCF)Oc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C8H5BrF4O3P/c9-7-2-1-5(16-17(14)15-4-10)3-6(7)8(11,12)13/h1-3H,4H2/q+1
InChIKeyRMZASTFXYLLSSC-UHFFFAOYSA-N
XLogP4.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.00
LogP ≤ 54.45
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 [4-bromo-3-(trifluoromethyl)phenoxy]-(fluoromethoxy)-oxophosphanium?
The IUPAC name of [4-bromo-3-(trifluoromethyl)phenoxy]-(fluoromethoxy)-oxophosphanium (CID 67753022) is [4-bromo-3-(trifluoromethyl)phenoxy]-(fluoromethoxy)-oxophosphanium.
What is the SMILES notation for [4-bromo-3-(trifluoromethyl)phenoxy]-(fluoromethoxy)-oxophosphanium?
The canonical SMILES for [4-bromo-3-(trifluoromethyl)phenoxy]-(fluoromethoxy)-oxophosphanium is O=[P+](OCF)Oc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of [4-bromo-3-(trifluoromethyl)phenoxy]-(fluoromethoxy)-oxophosphanium?
The InChIKey is RMZASTFXYLLSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF4O3P/c9-7-2-1-5(16-17(14)15-4-10)3-6(7)8(11,12)13/h1-3H,4H2/q+1.
What are the key properties of [4-bromo-3-(trifluoromethyl)phenoxy]-(fluoromethoxy)-oxophosphanium?
[4-bromo-3-(trifluoromethyl)phenoxy]-(fluoromethoxy)-oxophosphanium has a molecular weight of 336.00 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(trifluoromethyl)phenoxy]-(fluoromethoxy)-oxophosphanium is sourced from PubChem (CID 67753022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).