2-(2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane

C11H10F13O5P — CID 10553433

IUPAC2-(2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane
SMILESCCOP(=O)(OCC)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C11H10F13O5P/c1-3-26-30(25,27-4-2)11(23,24)10(21,22)29-7(15,8(16,17)18)9(19,20)28-6(14)5(12)13/h3-4H2,1-2H3
InChIKeyBPDFBTWQWLQMLV-UHFFFAOYSA-N
MW500.14 g/mol
LogP6.33
Rot. Bonds11

About 2-(2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane

2-(2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane (PubChem CID 10553433) has the molecular formula C11H10F13O5P and a molecular weight of 500.14 g/mol. Its IUPAC name is 2-(2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane.

Molecular Properties

Compound Name2-(2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane
PubChem CID10553433
Molecular FormulaC11H10F13O5P
Molecular Weight500.14 g/mol
Exact Mass500.01
IUPAC Name2-(2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane
SMILESCCOP(=O)(OCC)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C11H10F13O5P/c1-3-26-30(25,27-4-2)11(23,24)10(21,22)29-7(15,8(16,17)18)9(19,20)28-6(14)5(12)13/h3-4H2,1-2H3
InChIKeyBPDFBTWQWLQMLV-UHFFFAOYSA-N
XLogP6.33
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.14
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane?
The IUPAC name of 2-(2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane (CID 10553433) is 2-(2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane.
What is the SMILES notation for 2-(2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane?
The canonical SMILES for 2-(2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane is CCOP(=O)(OCC)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F.
What is the InChIKey of 2-(2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane?
The InChIKey is BPDFBTWQWLQMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F13O5P/c1-3-26-30(25,27-4-2)11(23,24)10(21,22)29-7(15,8(16,17)18)9(19,20)28-6(14)5(12)13/h3-4H2,1-2H3.
What are the key properties of 2-(2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane?
2-(2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane has a molecular weight of 500.14 g/mol, XLogP of 6.33, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propane is sourced from PubChem (CID 10553433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).