(2-carboxyoxy-1,1,2,2-tetrafluoroethyl) hydrogen carbonate

C4H2F4O6 — CID 87091270

IUPAC(2-carboxyoxy-1,1,2,2-tetrafluoroethyl) hydrogen carbonate
SMILESO=C(O)OC(F)(F)C(F)(F)OC(=O)O
InChIInChI=1S/C4H2F4O6/c5-3(6,13-1(9)10)4(7,8)14-2(11)12/h(H,9,10)(H,11,12)
InChIKeyGNKNOYIJUCIMOH-UHFFFAOYSA-N
MW222.05 g/mol
LogP1.56
Rot. Bonds3

About (2-carboxyoxy-1,1,2,2-tetrafluoroethyl) hydrogen carbonate

(2-carboxyoxy-1,1,2,2-tetrafluoroethyl) hydrogen carbonate (PubChem CID 87091270) has the molecular formula C4H2F4O6 and a molecular weight of 222.05 g/mol. Its IUPAC name is (2-carboxyoxy-1,1,2,2-tetrafluoroethyl) hydrogen carbonate.

Molecular Properties

Compound Name(2-carboxyoxy-1,1,2,2-tetrafluoroethyl) hydrogen carbonate
PubChem CID87091270
Molecular FormulaC4H2F4O6
Molecular Weight222.05 g/mol
Exact Mass221.98
IUPAC Name(2-carboxyoxy-1,1,2,2-tetrafluoroethyl) hydrogen carbonate
SMILESO=C(O)OC(F)(F)C(F)(F)OC(=O)O
InChIInChI=1S/C4H2F4O6/c5-3(6,13-1(9)10)4(7,8)14-2(11)12/h(H,9,10)(H,11,12)
InChIKeyGNKNOYIJUCIMOH-UHFFFAOYSA-N
XLogP1.56
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.05
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bis[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl] carbonate
CID 54469460
[1,1,2,2-Tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl] hydrogen carbonate
CID 88506190
(1-Carboxyoxy-1,1,2,3,3-pentafluoropropan-2-yl) hydrogen carbonate
CID 135262209
(1-Carboxyoxy-1,1,2,3,3,3-hexafluoropropan-2-yl) hydrogen carbonate
CID 155355888
(1,1,1,2,3,3-Hexafluoro-3-hydroxypropan-2-yl) hydrogen carbonate
CID 175891698
(1,1,2,2-Tetrafluoro-2-hydroxyethyl) hydrogen carbonate
CID 175891871
(1,2,2,2-Tetrafluoro-1-hydroxyethyl) hydrogen carbonate
CID 175891951

Frequently Asked Questions

What is the IUPAC name of (2-carboxyoxy-1,1,2,2-tetrafluoroethyl) hydrogen carbonate?
The IUPAC name of (2-carboxyoxy-1,1,2,2-tetrafluoroethyl) hydrogen carbonate (CID 87091270) is (2-carboxyoxy-1,1,2,2-tetrafluoroethyl) hydrogen carbonate.
What is the SMILES notation for (2-carboxyoxy-1,1,2,2-tetrafluoroethyl) hydrogen carbonate?
The canonical SMILES for (2-carboxyoxy-1,1,2,2-tetrafluoroethyl) hydrogen carbonate is O=C(O)OC(F)(F)C(F)(F)OC(=O)O.
What is the InChIKey of (2-carboxyoxy-1,1,2,2-tetrafluoroethyl) hydrogen carbonate?
The InChIKey is GNKNOYIJUCIMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F4O6/c5-3(6,13-1(9)10)4(7,8)14-2(11)12/h(H,9,10)(H,11,12).
What are the key properties of (2-carboxyoxy-1,1,2,2-tetrafluoroethyl) hydrogen carbonate?
(2-carboxyoxy-1,1,2,2-tetrafluoroethyl) hydrogen carbonate has a molecular weight of 222.05 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carboxyoxy-1,1,2,2-tetrafluoroethyl) hydrogen carbonate is sourced from PubChem (CID 87091270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).