2-[bromo(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane

C4H4BrF6O3P — CID 86183964

IUPAC2-[bromo(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane
SMILESO=P(Br)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C4H4BrF6O3P/c5-15(12,13-1-3(6,7)8)14-2-4(9,10)11/h1-2H2
InChIKeyYFIRGULYZICTLC-UHFFFAOYSA-N
MW324.94 g/mol
LogP3.65
Rot. Bonds4

About 2-[bromo(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane

2-[bromo(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane (PubChem CID 86183964) has the molecular formula C4H4BrF6O3P and a molecular weight of 324.94 g/mol. Its IUPAC name is 2-[bromo(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[bromo(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane
PubChem CID86183964
Molecular FormulaC4H4BrF6O3P
Molecular Weight324.94 g/mol
Exact Mass323.90
IUPAC Name2-[bromo(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane
SMILESO=P(Br)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C4H4BrF6O3P/c5-15(12,13-1-3(6,7)8)14-2-4(9,10)11/h1-2H2
InChIKeyYFIRGULYZICTLC-UHFFFAOYSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.94
LogP ≤ 53.65
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 2-[bromo(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane?
The IUPAC name of 2-[bromo(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane (CID 86183964) is 2-[bromo(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[bromo(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane?
The canonical SMILES for 2-[bromo(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane is O=P(Br)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 2-[bromo(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane?
The InChIKey is YFIRGULYZICTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrF6O3P/c5-15(12,13-1-3(6,7)8)14-2-4(9,10)11/h1-2H2.
What are the key properties of 2-[bromo(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane?
2-[bromo(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane has a molecular weight of 324.94 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane is sourced from PubChem (CID 86183964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).