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

C5H3F5O6 — CID 135262209

IUPAC(1-carboxyoxy-1,1,2,3,3-pentafluoropropan-2-yl) hydrogen carbonate
SMILESO=C(O)OC(F)(F)C(F)(OC(=O)O)C(F)F
InChIInChI=1S/C5H3F5O6/c6-1(7)4(8,15-2(11)12)5(9,10)16-3(13)14/h1H,(H,11,12)(H,13,14)
InChIKeyQLYNHQUMYZGUSK-UHFFFAOYSA-N
MW254.06 g/mol
LogP1.90
Rot. Bonds4

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

(1-carboxyoxy-1,1,2,3,3-pentafluoropropan-2-yl) hydrogen carbonate (PubChem CID 135262209) has the molecular formula C5H3F5O6 and a molecular weight of 254.06 g/mol. Its IUPAC name is (1-carboxyoxy-1,1,2,3,3-pentafluoropropan-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(1-carboxyoxy-1,1,2,3,3-pentafluoropropan-2-yl) hydrogen carbonate
PubChem CID135262209
Molecular FormulaC5H3F5O6
Molecular Weight254.06 g/mol
Exact Mass253.98
IUPAC Name(1-carboxyoxy-1,1,2,3,3-pentafluoropropan-2-yl) hydrogen carbonate
SMILESO=C(O)OC(F)(F)C(F)(OC(=O)O)C(F)F
InChIInChI=1S/C5H3F5O6/c6-1(7)4(8,15-2(11)12)5(9,10)16-3(13)14/h1H,(H,11,12)(H,13,14)
InChIKeyQLYNHQUMYZGUSK-UHFFFAOYSA-N
XLogP1.90
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.06
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-carboxyoxy-1,1,2,3,3-pentafluoropropan-2-yl) hydrogen carbonate?
The IUPAC name of (1-carboxyoxy-1,1,2,3,3-pentafluoropropan-2-yl) hydrogen carbonate (CID 135262209) is (1-carboxyoxy-1,1,2,3,3-pentafluoropropan-2-yl) hydrogen carbonate.
What is the SMILES notation for (1-carboxyoxy-1,1,2,3,3-pentafluoropropan-2-yl) hydrogen carbonate?
The canonical SMILES for (1-carboxyoxy-1,1,2,3,3-pentafluoropropan-2-yl) hydrogen carbonate is O=C(O)OC(F)(F)C(F)(OC(=O)O)C(F)F.
What is the InChIKey of (1-carboxyoxy-1,1,2,3,3-pentafluoropropan-2-yl) hydrogen carbonate?
The InChIKey is QLYNHQUMYZGUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5O6/c6-1(7)4(8,15-2(11)12)5(9,10)16-3(13)14/h1H,(H,11,12)(H,13,14).
What are the key properties of (1-carboxyoxy-1,1,2,3,3-pentafluoropropan-2-yl) hydrogen carbonate?
(1-carboxyoxy-1,1,2,3,3-pentafluoropropan-2-yl) hydrogen carbonate has a molecular weight of 254.06 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carboxyoxy-1,1,2,3,3-pentafluoropropan-2-yl) hydrogen carbonate is sourced from PubChem (CID 135262209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).