1,1,2,2,3,3-hexafluoro-1-(1,2,2,2-tetrafluoroethoxy)-3-(trifluoromethoxy)propane

C6HF13O2 — CID 155982319

IUPAC1,1,2,2,3,3-hexafluoro-1-(1,2,2,2-tetrafluoroethoxy)-3-(trifluoromethoxy)propane
SMILESFC(OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF13O2/c7-1(2(8,9)10)20-4(13,14)3(11,12)5(15,16)21-6(17,18)19/h1H
InChIKeyJPMFKQBIYVBUAD-UHFFFAOYSA-N
MW352.05 g/mol
LogP4.22
Rot. Bonds5

About 1,1,2,2,3,3-hexafluoro-1-(1,2,2,2-tetrafluoroethoxy)-3-(trifluoromethoxy)propane

1,1,2,2,3,3-hexafluoro-1-(1,2,2,2-tetrafluoroethoxy)-3-(trifluoromethoxy)propane (PubChem CID 155982319) has the molecular formula C6HF13O2 and a molecular weight of 352.05 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-1-(1,2,2,2-tetrafluoroethoxy)-3-(trifluoromethoxy)propane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-1-(1,2,2,2-tetrafluoroethoxy)-3-(trifluoromethoxy)propane
PubChem CID155982319
Molecular FormulaC6HF13O2
Molecular Weight352.05 g/mol
Exact Mass351.98
IUPAC Name1,1,2,2,3,3-hexafluoro-1-(1,2,2,2-tetrafluoroethoxy)-3-(trifluoromethoxy)propane
SMILESFC(OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF13O2/c7-1(2(8,9)10)20-4(13,14)3(11,12)5(15,16)21-6(17,18)19/h1H
InChIKeyJPMFKQBIYVBUAD-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.05
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-1-(1,2,2,2-tetrafluoroethoxy)-3-(trifluoromethoxy)propane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-1-(1,2,2,2-tetrafluoroethoxy)-3-(trifluoromethoxy)propane (CID 155982319) is 1,1,2,2,3,3-hexafluoro-1-(1,2,2,2-tetrafluoroethoxy)-3-(trifluoromethoxy)propane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-1-(1,2,2,2-tetrafluoroethoxy)-3-(trifluoromethoxy)propane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-1-(1,2,2,2-tetrafluoroethoxy)-3-(trifluoromethoxy)propane is FC(OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-1-(1,2,2,2-tetrafluoroethoxy)-3-(trifluoromethoxy)propane?
The InChIKey is JPMFKQBIYVBUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF13O2/c7-1(2(8,9)10)20-4(13,14)3(11,12)5(15,16)21-6(17,18)19/h1H.
What are the key properties of 1,1,2,2,3,3-hexafluoro-1-(1,2,2,2-tetrafluoroethoxy)-3-(trifluoromethoxy)propane?
1,1,2,2,3,3-hexafluoro-1-(1,2,2,2-tetrafluoroethoxy)-3-(trifluoromethoxy)propane has a molecular weight of 352.05 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-1-(1,2,2,2-tetrafluoroethoxy)-3-(trifluoromethoxy)propane is sourced from PubChem (CID 155982319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).