bis[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl] carbonate

C7F14O5 — CID 54469460

IUPACbis[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl] carbonate
SMILESO=C(OC(F)(F)C(F)(F)OC(F)(F)F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C7F14O5/c8-2(9,4(12,13)25-6(16,17)18)23-1(22)24-3(10,11)5(14,15)26-7(19,20)21
InChIKeyXHGOTMACUPLJTG-UHFFFAOYSA-N
MW430.04 g/mol
LogP4.58
Rot. Bonds6

About bis[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl] carbonate

bis[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl] carbonate (PubChem CID 54469460) has the molecular formula C7F14O5 and a molecular weight of 430.04 g/mol. Its IUPAC name is bis[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl] carbonate.

Molecular Properties

Compound Namebis[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl] carbonate
PubChem CID54469460
Molecular FormulaC7F14O5
Molecular Weight430.04 g/mol
Exact Mass429.95
IUPAC Namebis[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl] carbonate
SMILESO=C(OC(F)(F)C(F)(F)OC(F)(F)F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C7F14O5/c8-2(9,4(12,13)25-6(16,17)18)23-1(22)24-3(10,11)5(14,15)26-7(19,20)21
InChIKeyXHGOTMACUPLJTG-UHFFFAOYSA-N
XLogP4.58
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.04
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Fomblin z-15
CID 12837400
Bis(1,1,2,2,2-pentafluoroethyl) carbonate
CID 14963674
1,2-Bis[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethane
CID 18920695
Potassium 2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanolate
CID 58913823
(2-Carboxyoxy-1,1,2,2-tetrafluoroethyl) hydrogen carbonate
CID 87091270
1,1,2,2,2-Pentafluoroethyl trifluoromethyl carbonate
CID 87246666
[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-[2-[Difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite
CID 172090917
[2-[[[[Difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite
CID 172090921
[2-[Difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite
CID 172090922
Perfluoro-2-{[5-methoxy-1,3-dioxolan-4-yl]oxy}ethyl carbonofluoridate
CID 165365518

Frequently Asked Questions

What is the IUPAC name of bis[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl] carbonate?
The IUPAC name of bis[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl] carbonate (CID 54469460) is bis[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl] carbonate.
What is the SMILES notation for bis[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl] carbonate?
The canonical SMILES for bis[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl] carbonate is O=C(OC(F)(F)C(F)(F)OC(F)(F)F)OC(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of bis[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl] carbonate?
The InChIKey is XHGOTMACUPLJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F14O5/c8-2(9,4(12,13)25-6(16,17)18)23-1(22)24-3(10,11)5(14,15)26-7(19,20)21.
What are the key properties of bis[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl] carbonate?
bis[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl] carbonate has a molecular weight of 430.04 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl] carbonate is sourced from PubChem (CID 54469460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).