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

C4H3F3O6 — CID 87144516

IUPAC(2-carboxyoxy-1,1,2-trifluoroethyl) hydrogen carbonate
SMILESO=C(O)OC(F)C(F)(F)OC(=O)O
InChIInChI=1S/C4H3F3O6/c5-1(12-2(8)9)4(6,7)13-3(10)11/h1H,(H,8,9)(H,10,11)
InChIKeyWBAACINJXNBUOF-UHFFFAOYSA-N
MW204.06 g/mol
LogP1.26
Rot. Bonds3

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

(2-carboxyoxy-1,1,2-trifluoroethyl) hydrogen carbonate (PubChem CID 87144516) has the molecular formula C4H3F3O6 and a molecular weight of 204.06 g/mol. Its IUPAC name is (2-carboxyoxy-1,1,2-trifluoroethyl) hydrogen carbonate.

Molecular Properties

Compound Name(2-carboxyoxy-1,1,2-trifluoroethyl) hydrogen carbonate
PubChem CID87144516
Molecular FormulaC4H3F3O6
Molecular Weight204.06 g/mol
Exact Mass203.99
IUPAC Name(2-carboxyoxy-1,1,2-trifluoroethyl) hydrogen carbonate
SMILESO=C(O)OC(F)C(F)(F)OC(=O)O
InChIInChI=1S/C4H3F3O6/c5-1(12-2(8)9)4(6,7)13-3(10)11/h1H,(H,8,9)(H,10,11)
InChIKeyWBAACINJXNBUOF-UHFFFAOYSA-N
XLogP1.26
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-carboxyoxy-1,1,2-trifluoroethyl) hydrogen carbonate?
The IUPAC name of (2-carboxyoxy-1,1,2-trifluoroethyl) hydrogen carbonate (CID 87144516) is (2-carboxyoxy-1,1,2-trifluoroethyl) hydrogen carbonate.
What is the SMILES notation for (2-carboxyoxy-1,1,2-trifluoroethyl) hydrogen carbonate?
The canonical SMILES for (2-carboxyoxy-1,1,2-trifluoroethyl) hydrogen carbonate is O=C(O)OC(F)C(F)(F)OC(=O)O.
What is the InChIKey of (2-carboxyoxy-1,1,2-trifluoroethyl) hydrogen carbonate?
The InChIKey is WBAACINJXNBUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3O6/c5-1(12-2(8)9)4(6,7)13-3(10)11/h1H,(H,8,9)(H,10,11).
What are the key properties of (2-carboxyoxy-1,1,2-trifluoroethyl) hydrogen carbonate?
(2-carboxyoxy-1,1,2-trifluoroethyl) hydrogen carbonate has a molecular weight of 204.06 g/mol, XLogP of 1.26, 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-trifluoroethyl) hydrogen carbonate is sourced from PubChem (CID 87144516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).