1,1,1-trifluoro-2-[iodo(2,2,2-trifluoroethoxy)phosphoryl]oxyethane

C4H4F6IO3P — CID 15497723

IUPAC1,1,1-trifluoro-2-[iodo(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
SMILESO=P(I)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C4H4F6IO3P/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10/h1-2H2
InChIKeyMFTKUSYRURWFDJ-UHFFFAOYSA-N
MW371.94 g/mol
LogP3.69
Rot. Bonds4

About 1,1,1-trifluoro-2-[iodo(2,2,2-trifluoroethoxy)phosphoryl]oxyethane

1,1,1-trifluoro-2-[iodo(2,2,2-trifluoroethoxy)phosphoryl]oxyethane (PubChem CID 15497723) has the molecular formula C4H4F6IO3P and a molecular weight of 371.94 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[iodo(2,2,2-trifluoroethoxy)phosphoryl]oxyethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[iodo(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
PubChem CID15497723
Molecular FormulaC4H4F6IO3P
Molecular Weight371.94 g/mol
Exact Mass371.88
IUPAC Name1,1,1-trifluoro-2-[iodo(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
SMILESO=P(I)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C4H4F6IO3P/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10/h1-2H2
InChIKeyMFTKUSYRURWFDJ-UHFFFAOYSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.94
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[iodo(2,2,2-trifluoroethoxy)phosphoryl]oxyethane?
The IUPAC name of 1,1,1-trifluoro-2-[iodo(2,2,2-trifluoroethoxy)phosphoryl]oxyethane (CID 15497723) is 1,1,1-trifluoro-2-[iodo(2,2,2-trifluoroethoxy)phosphoryl]oxyethane.
What is the SMILES notation for 1,1,1-trifluoro-2-[iodo(2,2,2-trifluoroethoxy)phosphoryl]oxyethane?
The canonical SMILES for 1,1,1-trifluoro-2-[iodo(2,2,2-trifluoroethoxy)phosphoryl]oxyethane is O=P(I)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[iodo(2,2,2-trifluoroethoxy)phosphoryl]oxyethane?
The InChIKey is MFTKUSYRURWFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6IO3P/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10/h1-2H2.
What are the key properties of 1,1,1-trifluoro-2-[iodo(2,2,2-trifluoroethoxy)phosphoryl]oxyethane?
1,1,1-trifluoro-2-[iodo(2,2,2-trifluoroethoxy)phosphoryl]oxyethane has a molecular weight of 371.94 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[iodo(2,2,2-trifluoroethoxy)phosphoryl]oxyethane is sourced from PubChem (CID 15497723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).