1,2-bis[2,2-difluoro-1-(trifluoromethoxy)ethenoxy]-1,1,2,2-tetrafluoroethane

C8F14O4 — CID 58017936

IUPAC1,2-bis[2,2-difluoro-1-(trifluoromethoxy)ethenoxy]-1,1,2,2-tetrafluoroethane
SMILESFC(F)=C(OC(F)(F)F)OC(F)(F)C(F)(F)OC(OC(F)(F)F)=C(F)F
InChIInChI=1S/C8F14O4/c9-1(10)3(25-7(17,18)19)23-5(13,14)6(15,16)24-4(2(11)12)26-8(20,21)22
InChIKeyQTWFLHNUZJNPAA-UHFFFAOYSA-N
MW426.06 g/mol
LogP5.41
Rot. Bonds7

About 1,2-bis[2,2-difluoro-1-(trifluoromethoxy)ethenoxy]-1,1,2,2-tetrafluoroethane

1,2-bis[2,2-difluoro-1-(trifluoromethoxy)ethenoxy]-1,1,2,2-tetrafluoroethane (PubChem CID 58017936) has the molecular formula C8F14O4 and a molecular weight of 426.06 g/mol. Its IUPAC name is 1,2-bis[2,2-difluoro-1-(trifluoromethoxy)ethenoxy]-1,1,2,2-tetrafluoroethane.

Molecular Properties

Compound Name1,2-bis[2,2-difluoro-1-(trifluoromethoxy)ethenoxy]-1,1,2,2-tetrafluoroethane
PubChem CID58017936
Molecular FormulaC8F14O4
Molecular Weight426.06 g/mol
Exact Mass425.96
IUPAC Name1,2-bis[2,2-difluoro-1-(trifluoromethoxy)ethenoxy]-1,1,2,2-tetrafluoroethane
SMILESFC(F)=C(OC(F)(F)F)OC(F)(F)C(F)(F)OC(OC(F)(F)F)=C(F)F
InChIInChI=1S/C8F14O4/c9-1(10)3(25-7(17,18)19)23-5(13,14)6(15,16)24-4(2(11)12)26-8(20,21)22
InChIKeyQTWFLHNUZJNPAA-UHFFFAOYSA-N
XLogP5.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.06
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Perfluoro[(2-methoxyethoxy)methoxy]ethene
CID 87579205
1,2-Bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane
CID 18920695
1-[2-[Difluoro-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethane
CID 53940235
1-[Difluoro-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methoxy]-2-[2-[difluoro-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethane
CID 54449605
1-[[[Difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane
CID 57349774
1,1,1,3,3,5,5,7,7,8,8,10,11,11-Tetradecafluoro-2,4,6,9-tetraoxaundec-10-ene
CID 57370965
1,1,2-Trifluoro-2-[1,1,2,2-tetrafluoro-2-[difluoro(trifluoromethoxy)methoxy]ethoxy]ethene
CID 87416117
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
1,1,2-Trifluoro-2,2-bis(1,2,2-trifluoroethenoxy)-1-(trifluoromethoxy)ethane
CID 89327475
[2-[[[Difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite
CID 172090912
[2-[[Difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite
CID 172090915
[2-[[[[Difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite
CID 172090921

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[2,2-difluoro-1-(trifluoromethoxy)ethenoxy]-1,1,2,2-tetrafluoroethane?
The IUPAC name of 1,2-bis[2,2-difluoro-1-(trifluoromethoxy)ethenoxy]-1,1,2,2-tetrafluoroethane (CID 58017936) is 1,2-bis[2,2-difluoro-1-(trifluoromethoxy)ethenoxy]-1,1,2,2-tetrafluoroethane.
What is the SMILES notation for 1,2-bis[2,2-difluoro-1-(trifluoromethoxy)ethenoxy]-1,1,2,2-tetrafluoroethane?
The canonical SMILES for 1,2-bis[2,2-difluoro-1-(trifluoromethoxy)ethenoxy]-1,1,2,2-tetrafluoroethane is FC(F)=C(OC(F)(F)F)OC(F)(F)C(F)(F)OC(OC(F)(F)F)=C(F)F.
What is the InChIKey of 1,2-bis[2,2-difluoro-1-(trifluoromethoxy)ethenoxy]-1,1,2,2-tetrafluoroethane?
The InChIKey is QTWFLHNUZJNPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F14O4/c9-1(10)3(25-7(17,18)19)23-5(13,14)6(15,16)24-4(2(11)12)26-8(20,21)22.
What are the key properties of 1,2-bis[2,2-difluoro-1-(trifluoromethoxy)ethenoxy]-1,1,2,2-tetrafluoroethane?
1,2-bis[2,2-difluoro-1-(trifluoromethoxy)ethenoxy]-1,1,2,2-tetrafluoroethane has a molecular weight of 426.06 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2,2-difluoro-1-(trifluoromethoxy)ethenoxy]-1,1,2,2-tetrafluoroethane is sourced from PubChem (CID 58017936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).