1-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane

C7F14O4 — CID 57370965

IUPAC1-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane
SMILESFC(F)=C(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C7F14O4/c8-1(9)2(10)22-3(11,12)4(13,14)23-6(18,19)25-7(20,21)24-5(15,16)17
InChIKeyRQCRLGGXPSMTBH-UHFFFAOYSA-N
MW414.05 g/mol
LogP4.89
Rot. Bonds8

About 1-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane

1-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane (PubChem CID 57370965) has the molecular formula C7F14O4 and a molecular weight of 414.05 g/mol. Its IUPAC name is 1-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane.

Molecular Properties

Compound Name1-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane
PubChem CID57370965
Molecular FormulaC7F14O4
Molecular Weight414.05 g/mol
Exact Mass413.96
IUPAC Name1-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane
SMILESFC(F)=C(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C7F14O4/c8-1(9)2(10)22-3(11,12)4(13,14)23-6(18,19)25-7(20,21)24-5(15,16)17
InChIKeyRQCRLGGXPSMTBH-UHFFFAOYSA-N
XLogP4.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.05
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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(pentafluoroethoxy)methoxy]-1,2,2-trifluoroethene
CID 15515048
Perfluoro[(2-methoxyethoxy)methoxy]ethene
CID 87579205
2-(Difluoromethylene)-4,4,5,5-tetrafluoro-1,3-dioxolane
CID 22283745
1-[[[Difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene
CID 11046707
Fomblin z-15
CID 12837400
1,2-Bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane
CID 18920695
1-[[[Difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane
CID 57349774
1,2-Bis[2,2-difluoro-1-(trifluoromethoxy)ethenoxy]-1,1,2,2-tetrafluoroethane
CID 58017936
Potassium 2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanolate
CID 58913823
[Difluoro-(2,4,5-trifluoro-1,3-dioxol-2-yl)methyl] hypofluorite
CID 58927011
1,1,2-Trifluoro-2-[1,1,2,2-tetrafluoro-2-[difluoro(trifluoromethoxy)methoxy]ethoxy]ethene
CID 87416117
1-[Difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane
CID 87579475

Frequently Asked Questions

What is the IUPAC name of 1-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane?
The IUPAC name of 1-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane (CID 57370965) is 1-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane.
What is the SMILES notation for 1-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane?
The canonical SMILES for 1-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane is FC(F)=C(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)F.
What is the InChIKey of 1-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane?
The InChIKey is RQCRLGGXPSMTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F14O4/c8-1(9)2(10)22-3(11,12)4(13,14)23-6(18,19)25-7(20,21)24-5(15,16)17.
What are the key properties of 1-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane?
1-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane has a molecular weight of 414.05 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane is sourced from PubChem (CID 57370965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).