[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate

C7H5F9O5 — CID 122438608

IUPAC[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate
SMILESCOC(=O)OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C7H5F9O5/c1-18-3(17)19-2-4(8,9)20-5(10,11)6(12,13)21-7(14,15)16/h2H2,1H3
InChIKeyYPTOZTRMTRMVMT-UHFFFAOYSA-N
MW340.09 g/mol
LogP3.10
Rot. Bonds6

About [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate

[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate (PubChem CID 122438608) has the molecular formula C7H5F9O5 and a molecular weight of 340.09 g/mol. Its IUPAC name is [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate.

Molecular Properties

Compound Name[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate
PubChem CID122438608
Molecular FormulaC7H5F9O5
Molecular Weight340.09 g/mol
Exact Mass340.00
IUPAC Name[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate
SMILESCOC(=O)OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C7H5F9O5/c1-18-3(17)19-2-4(8,9)20-5(10,11)6(12,13)21-7(14,15)16/h2H2,1H3
InChIKeyYPTOZTRMTRMVMT-UHFFFAOYSA-N
XLogP3.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.09
LogP ≤ 53.10
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

[2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl] methyl carbonate
CID 122459246
[2,2-difluoro-2-[1,1,2,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl] methyl carbonate
CID 122456553
(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8-methoxycarbonyloxyoctyl) methyl carbonate
CID 122607499
methyl (2S)-2-[2-[[2-[1,1-difluoro-2-[(2S)-3-oxobutan-2-yl]oxyethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethoxy]propanoate
CID 59257455
[3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate
CID 118490954
[2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl] methyl carbonate
CID 122458002
2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]-7-fluorooct-1-ene
CID 142646958
methyl 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propanoate
CID 11739882
methyl [2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propyl] carbonate
CID 122450404
[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] diethyl phosphate
CID 122456269
[2-[[2-[1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethoxy]-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethyl] 2-methylpropanoate
CID 58536590
[2-[2-[(1,1-difluoro-2-prop-2-enoyloxyethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethyl] prop-2-enoate
CID 87065443

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate?
The IUPAC name of [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate (CID 122438608) is [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate.
What is the SMILES notation for [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate?
The canonical SMILES for [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate is COC(=O)OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate?
The InChIKey is YPTOZTRMTRMVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O5/c1-18-3(17)19-2-4(8,9)20-5(10,11)6(12,13)21-7(14,15)16/h2H2,1H3.
What are the key properties of [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate?
[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate has a molecular weight of 340.09 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethyl] methyl carbonate is sourced from PubChem (CID 122438608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).