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

C6F14O4 — CID 18920695

IUPAC1,2-bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane
SMILESFC(F)(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C6F14O4/c7-1(8,21-5(17,18)23-3(11,12)13)2(9,10)22-6(19,20)24-4(14,15)16
InChIKeyJAYZCHGEYJCUNP-UHFFFAOYSA-N
MW402.03 g/mol
LogP4.38
Rot. Bonds7

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

1,2-bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane (PubChem CID 18920695) has the molecular formula C6F14O4 and a molecular weight of 402.03 g/mol. Its IUPAC name is 1,2-bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane.

Molecular Properties

Compound Name1,2-bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane
PubChem CID18920695
Molecular FormulaC6F14O4
Molecular Weight402.03 g/mol
Exact Mass401.96
IUPAC Name1,2-bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane
SMILESFC(F)(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C6F14O4/c7-1(8,21-5(17,18)23-3(11,12)13)2(9,10)22-6(19,20)24-4(14,15)16
InChIKeyJAYZCHGEYJCUNP-UHFFFAOYSA-N
XLogP4.38
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.03
LogP ≤ 54.38
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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Related Compounds

1-(Difluoro(trifluoromethoxy)methoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane
CID 52991866
Perfluoro[(2-methoxyethoxy)methoxy]ethene
CID 87579205
1-(Difluoromethoxy)-2-((difluoromethoxy)difluoromethoxy)-1,1,2,2-tetrafluoroethane
CID 9948255
Perfluorodiethoxymethane
CID 15218858
Fomblin z-15
CID 12837400
1,1,1,2,2-Pentafluoro-2-[tris(1,1,2,2,2-pentafluoroethoxy)methoxy]ethane
CID 14338975
1,1,1,2,2-Pentafluoro-2-{fluoro[bis(pentafluoroethoxy)]methoxy}ethane
CID 15218860
1-[[Difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-difluoromethoxy]-1,1,2,2,2-pentafluoroethane
CID 18920693
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
Bis[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl] carbonate
CID 54469460
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

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane?
The IUPAC name of 1,2-bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane (CID 18920695) is 1,2-bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane.
What is the SMILES notation for 1,2-bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane?
The canonical SMILES for 1,2-bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane is FC(F)(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)F.
What is the InChIKey of 1,2-bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane?
The InChIKey is JAYZCHGEYJCUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F14O4/c7-1(8,21-5(17,18)23-3(11,12)13)2(9,10)22-6(19,20)24-4(14,15)16.
What are the key properties of 1,2-bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane?
1,2-bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane has a molecular weight of 402.03 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane is sourced from PubChem (CID 18920695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).