(1-carboxyoxy-1,2,3-trifluoropropan-2-yl) hydrogen carbonate

C5H5F3O6 — CID 88593137

IUPAC(1-carboxyoxy-1,2,3-trifluoropropan-2-yl) hydrogen carbonate
SMILESO=C(O)OC(F)C(F)(CF)OC(=O)O
InChIInChI=1S/C5H5F3O6/c6-1-5(8,14-4(11)12)2(7)13-3(9)10/h2H,1H2,(H,9,10)(H,11,12)
InChIKeyHFIQOYBSSSSLBS-UHFFFAOYSA-N
MW218.08 g/mol
LogP1.31
Rot. Bonds4

About (1-carboxyoxy-1,2,3-trifluoropropan-2-yl) hydrogen carbonate

(1-carboxyoxy-1,2,3-trifluoropropan-2-yl) hydrogen carbonate (PubChem CID 88593137) has the molecular formula C5H5F3O6 and a molecular weight of 218.08 g/mol. Its IUPAC name is (1-carboxyoxy-1,2,3-trifluoropropan-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(1-carboxyoxy-1,2,3-trifluoropropan-2-yl) hydrogen carbonate
PubChem CID88593137
Molecular FormulaC5H5F3O6
Molecular Weight218.08 g/mol
Exact Mass218.00
IUPAC Name(1-carboxyoxy-1,2,3-trifluoropropan-2-yl) hydrogen carbonate
SMILESO=C(O)OC(F)C(F)(CF)OC(=O)O
InChIInChI=1S/C5H5F3O6/c6-1-5(8,14-4(11)12)2(7)13-3(9)10/h2H,1H2,(H,9,10)(H,11,12)
InChIKeyHFIQOYBSSSSLBS-UHFFFAOYSA-N
XLogP1.31
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-carboxyoxy-1,2,3-trifluoropropan-2-yl) hydrogen carbonate?
The IUPAC name of (1-carboxyoxy-1,2,3-trifluoropropan-2-yl) hydrogen carbonate (CID 88593137) is (1-carboxyoxy-1,2,3-trifluoropropan-2-yl) hydrogen carbonate.
What is the SMILES notation for (1-carboxyoxy-1,2,3-trifluoropropan-2-yl) hydrogen carbonate?
The canonical SMILES for (1-carboxyoxy-1,2,3-trifluoropropan-2-yl) hydrogen carbonate is O=C(O)OC(F)C(F)(CF)OC(=O)O.
What is the InChIKey of (1-carboxyoxy-1,2,3-trifluoropropan-2-yl) hydrogen carbonate?
The InChIKey is HFIQOYBSSSSLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O6/c6-1-5(8,14-4(11)12)2(7)13-3(9)10/h2H,1H2,(H,9,10)(H,11,12).
What are the key properties of (1-carboxyoxy-1,2,3-trifluoropropan-2-yl) hydrogen carbonate?
(1-carboxyoxy-1,2,3-trifluoropropan-2-yl) hydrogen carbonate has a molecular weight of 218.08 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carboxyoxy-1,2,3-trifluoropropan-2-yl) hydrogen carbonate is sourced from PubChem (CID 88593137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).