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

C5H7F6O3P — CID 3625610

IUPAC1,1,1-trifluoro-2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
SMILESCP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C5H7F6O3P/c1-15(12,13-2-4(6,7)8)14-3-5(9,10)11/h2-3H2,1H3
InChIKeyYIUFTMLPQFZEFD-UHFFFAOYSA-N
MW260.07 g/mol
LogP2.97
Rot. Bonds4

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

1,1,1-trifluoro-2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane (PubChem CID 3625610) has the molecular formula C5H7F6O3P and a molecular weight of 260.07 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
PubChem CID3625610
Molecular FormulaC5H7F6O3P
Molecular Weight260.07 g/mol
Exact Mass260.00
IUPAC Name1,1,1-trifluoro-2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
SMILESCP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C5H7F6O3P/c1-15(12,13-2-4(6,7)8)14-3-5(9,10)11/h2-3H2,1H3
InChIKeyYIUFTMLPQFZEFD-UHFFFAOYSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.07
LogP ≤ 52.97
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 1,1,1-trifluoro-2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane?
The IUPAC name of 1,1,1-trifluoro-2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane (CID 3625610) is 1,1,1-trifluoro-2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane.
What is the SMILES notation for 1,1,1-trifluoro-2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane?
The canonical SMILES for 1,1,1-trifluoro-2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane is CP(=O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane?
The InChIKey is YIUFTMLPQFZEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F6O3P/c1-15(12,13-2-4(6,7)8)14-3-5(9,10)11/h2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane?
1,1,1-trifluoro-2-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane has a molecular weight of 260.07 g/mol, XLogP of 2.97, 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-[methyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane is sourced from PubChem (CID 3625610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).