1-[2-[difluoro-[1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane

C13F28O4 — CID 54415745

IUPAC1-[2-[difluoro-[1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
SMILESFC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13F28O4/c14-1(3(16,17)18,4(19,20)21)7(28,29)42-9(32,33)11(36,37)44-13(40,41)45-12(38,39)10(34,35)43-8(30,31)2(15,5(22,23)24)6(25,26)27
InChIKeyVXHBDCRZGUKGEI-UHFFFAOYSA-N
MW752.08 g/mol
LogP8.83
Rot. Bonds12

About 1-[2-[difluoro-[1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane

1-[2-[difluoro-[1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane (PubChem CID 54415745) has the molecular formula C13F28O4 and a molecular weight of 752.08 g/mol. Its IUPAC name is 1-[2-[difluoro-[1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane.

Molecular Properties

Compound Name1-[2-[difluoro-[1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
PubChem CID54415745
Molecular FormulaC13F28O4
Molecular Weight752.08 g/mol
Exact Mass751.93
IUPAC Name1-[2-[difluoro-[1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
SMILESFC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13F28O4/c14-1(3(16,17)18,4(19,20)21)7(28,29)42-9(32,33)11(36,37)44-13(40,41)45-12(38,39)10(34,35)43-8(30,31)2(15,5(22,23)24)6(25,26)27
InChIKeyVXHBDCRZGUKGEI-UHFFFAOYSA-N
XLogP8.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.08
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-[difluoro-[1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The IUPAC name of 1-[2-[difluoro-[1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane (CID 54415745) is 1-[2-[difluoro-[1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane.
What is the SMILES notation for 1-[2-[difluoro-[1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The canonical SMILES for 1-[2-[difluoro-[1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane is FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[2-[difluoro-[1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The InChIKey is VXHBDCRZGUKGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13F28O4/c14-1(3(16,17)18,4(19,20)21)7(28,29)42-9(32,33)11(36,37)44-13(40,41)45-12(38,39)10(34,35)43-8(30,31)2(15,5(22,23)24)6(25,26)27.
What are the key properties of 1-[2-[difluoro-[1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
1-[2-[difluoro-[1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane has a molecular weight of 752.08 g/mol, XLogP of 8.83, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[difluoro-[1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane is sourced from PubChem (CID 54415745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).