1,2-bis[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethane

C14F30O8 — CID 54545906

IUPAC1,2-bis[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethane
SMILESFC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C14F30O8/c15-1(16,45-3(19,20)7(27,28)49-13(41,42)51-9(31,32)5(23,24)47-11(35,36)37)2(17,18)46-4(21,22)8(29,30)50-14(43,44)52-10(33,34)6(25,26)48-12(38,39)40
InChIKeyZGMXDTLDNIFYOF-UHFFFAOYSA-N
MW866.09 g/mol
LogP9.19
Rot. Bonds19

About 1,2-bis[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethane

1,2-bis[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethane (PubChem CID 54545906) has the molecular formula C14F30O8 and a molecular weight of 866.09 g/mol. Its IUPAC name is 1,2-bis[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethane.

Molecular Properties

Compound Name1,2-bis[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethane
PubChem CID54545906
Molecular FormulaC14F30O8
Molecular Weight866.09 g/mol
Exact Mass865.91
IUPAC Name1,2-bis[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethane
SMILESFC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C14F30O8/c15-1(16,45-3(19,20)7(27,28)49-13(41,42)51-9(31,32)5(23,24)47-11(35,36)37)2(17,18)46-4(21,22)8(29,30)50-14(43,44)52-10(33,34)6(25,26)48-12(38,39)40
InChIKeyZGMXDTLDNIFYOF-UHFFFAOYSA-N
XLogP9.19
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.09
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-bis[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethane?
The IUPAC name of 1,2-bis[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethane (CID 54545906) is 1,2-bis[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethane.
What is the SMILES notation for 1,2-bis[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethane?
The canonical SMILES for 1,2-bis[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethane is FC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 1,2-bis[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethane?
The InChIKey is ZGMXDTLDNIFYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14F30O8/c15-1(16,45-3(19,20)7(27,28)49-13(41,42)51-9(31,32)5(23,24)47-11(35,36)37)2(17,18)46-4(21,22)8(29,30)50-14(43,44)52-10(33,34)6(25,26)48-12(38,39)40.
What are the key properties of 1,2-bis[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethane?
1,2-bis[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethane has a molecular weight of 866.09 g/mol, XLogP of 9.19, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-[difluoro-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethane is sourced from PubChem (CID 54545906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).