[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl] hydrogen carbonate

C5HF7O4 — CID 88506190

IUPAC[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl] hydrogen carbonate
SMILESO=C(O)OC(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C5HF7O4/c6-1(7)2(8)15-4(9,10)5(11,12)16-3(13)14/h(H,13,14)
InChIKeyCYRGBSROEXXVMT-UHFFFAOYSA-N
MW258.05 g/mol
LogP2.92
Rot. Bonds4

About [1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl] hydrogen carbonate

[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl] hydrogen carbonate (PubChem CID 88506190) has the molecular formula C5HF7O4 and a molecular weight of 258.05 g/mol. Its IUPAC name is [1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl] hydrogen carbonate.

Molecular Properties

Compound Name[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl] hydrogen carbonate
PubChem CID88506190
Molecular FormulaC5HF7O4
Molecular Weight258.05 g/mol
Exact Mass257.98
IUPAC Name[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl] hydrogen carbonate
SMILESO=C(O)OC(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C5HF7O4/c6-1(7)2(8)15-4(9,10)5(11,12)16-3(13)14/h(H,13,14)
InChIKeyCYRGBSROEXXVMT-UHFFFAOYSA-N
XLogP2.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.05
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of [1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl] hydrogen carbonate?
The IUPAC name of [1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl] hydrogen carbonate (CID 88506190) is [1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl] hydrogen carbonate.
What is the SMILES notation for [1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl] hydrogen carbonate?
The canonical SMILES for [1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl] hydrogen carbonate is O=C(O)OC(F)(F)C(F)(F)OC(F)=C(F)F.
What is the InChIKey of [1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl] hydrogen carbonate?
The InChIKey is CYRGBSROEXXVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF7O4/c6-1(7)2(8)15-4(9,10)5(11,12)16-3(13)14/h(H,13,14).
What are the key properties of [1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl] hydrogen carbonate?
[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl] hydrogen carbonate has a molecular weight of 258.05 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl] hydrogen carbonate is sourced from PubChem (CID 88506190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).