1-[[difluoro-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane

C10F22O5 — CID 87438417

IUPAC1-[[difluoro-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane
SMILESFC(F)(OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C10F22O5/c11-1(12,13)3(17,18)33-5(21,22)7(25,26)35-9(29,30)37-10(31,32)36-8(27,28)6(23,24)34-4(19,20)2(14,15)16
InChIKeyWXIKQJXTUSOVAS-UHFFFAOYSA-N
MW618.06 g/mol
LogP6.85
Rot. Bonds12

About 1-[[difluoro-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane

1-[[difluoro-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane (PubChem CID 87438417) has the molecular formula C10F22O5 and a molecular weight of 618.06 g/mol. Its IUPAC name is 1-[[difluoro-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane.

Molecular Properties

Compound Name1-[[difluoro-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane
PubChem CID87438417
Molecular FormulaC10F22O5
Molecular Weight618.06 g/mol
Exact Mass617.94
IUPAC Name1-[[difluoro-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane
SMILESFC(F)(OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C10F22O5/c11-1(12,13)3(17,18)33-5(21,22)7(25,26)35-9(29,30)37-10(31,32)36-8(27,28)6(23,24)34-4(19,20)2(14,15)16
InChIKeyWXIKQJXTUSOVAS-UHFFFAOYSA-N
XLogP6.85
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.06
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[difluoro-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane?
The IUPAC name of 1-[[difluoro-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane (CID 87438417) is 1-[[difluoro-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane.
What is the SMILES notation for 1-[[difluoro-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane?
The canonical SMILES for 1-[[difluoro-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane is FC(F)(OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1-[[difluoro-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane?
The InChIKey is WXIKQJXTUSOVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F22O5/c11-1(12,13)3(17,18)33-5(21,22)7(25,26)35-9(29,30)37-10(31,32)36-8(27,28)6(23,24)34-4(19,20)2(14,15)16.
What are the key properties of 1-[[difluoro-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane?
1-[[difluoro-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane has a molecular weight of 618.06 g/mol, XLogP of 6.85, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[difluoro-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane is sourced from PubChem (CID 87438417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).