1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane

C7F15IO2 — CID 155982269

IUPAC1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane
SMILESFC(F)(F)C(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)I)C(F)(F)F
InChIInChI=1S/C7F15IO2/c8-1(2(9,10)11,24-7(21,22)4(15,16)23)5(17,18)25-6(19,20)3(12,13)14
InChIKeyJMZBFQOPUFEXGX-UHFFFAOYSA-N
MW527.95 g/mol
LogP5.62
Rot. Bonds6

About 1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane

1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane (PubChem CID 155982269) has the molecular formula C7F15IO2 and a molecular weight of 527.95 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane
PubChem CID155982269
Molecular FormulaC7F15IO2
Molecular Weight527.95 g/mol
Exact Mass527.87
IUPAC Name1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane
SMILESFC(F)(F)C(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)I)C(F)(F)F
InChIInChI=1S/C7F15IO2/c8-1(2(9,10)11,24-7(21,22)4(15,16)23)5(17,18)25-6(19,20)3(12,13)14
InChIKeyJMZBFQOPUFEXGX-UHFFFAOYSA-N
XLogP5.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.95
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane (CID 155982269) is 1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane is FC(F)(F)C(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)I)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane?
The InChIKey is JMZBFQOPUFEXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F15IO2/c8-1(2(9,10)11,24-7(21,22)4(15,16)23)5(17,18)25-6(19,20)3(12,13)14.
What are the key properties of 1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane?
1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane has a molecular weight of 527.95 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane is sourced from PubChem (CID 155982269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).