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

C5H6F2O6 — CID 135144269

IUPAC(1-carboxyoxy-1,3-difluoropropan-2-yl) hydrogen carbonate
SMILESO=C(O)OC(F)C(CF)OC(=O)O
InChIInChI=1S/C5H6F2O6/c6-1-2(12-4(8)9)3(7)13-5(10)11/h2-3H,1H2,(H,8,9)(H,10,11)
InChIKeyLRHNVNGRBOJQJK-UHFFFAOYSA-N
MW200.09 g/mol
LogP1.01
Rot. Bonds4

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

(1-carboxyoxy-1,3-difluoropropan-2-yl) hydrogen carbonate (PubChem CID 135144269) has the molecular formula C5H6F2O6 and a molecular weight of 200.09 g/mol. Its IUPAC name is (1-carboxyoxy-1,3-difluoropropan-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(1-carboxyoxy-1,3-difluoropropan-2-yl) hydrogen carbonate
PubChem CID135144269
Molecular FormulaC5H6F2O6
Molecular Weight200.09 g/mol
Exact Mass200.01
IUPAC Name(1-carboxyoxy-1,3-difluoropropan-2-yl) hydrogen carbonate
SMILESO=C(O)OC(F)C(CF)OC(=O)O
InChIInChI=1S/C5H6F2O6/c6-1-2(12-4(8)9)3(7)13-5(10)11/h2-3H,1H2,(H,8,9)(H,10,11)
InChIKeyLRHNVNGRBOJQJK-UHFFFAOYSA-N
XLogP1.01
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.09
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-carboxyoxy-1,3-difluoropropan-2-yl) hydrogen carbonate?
The IUPAC name of (1-carboxyoxy-1,3-difluoropropan-2-yl) hydrogen carbonate (CID 135144269) is (1-carboxyoxy-1,3-difluoropropan-2-yl) hydrogen carbonate.
What is the SMILES notation for (1-carboxyoxy-1,3-difluoropropan-2-yl) hydrogen carbonate?
The canonical SMILES for (1-carboxyoxy-1,3-difluoropropan-2-yl) hydrogen carbonate is O=C(O)OC(F)C(CF)OC(=O)O.
What is the InChIKey of (1-carboxyoxy-1,3-difluoropropan-2-yl) hydrogen carbonate?
The InChIKey is LRHNVNGRBOJQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O6/c6-1-2(12-4(8)9)3(7)13-5(10)11/h2-3H,1H2,(H,8,9)(H,10,11).
What are the key properties of (1-carboxyoxy-1,3-difluoropropan-2-yl) hydrogen carbonate?
(1-carboxyoxy-1,3-difluoropropan-2-yl) hydrogen carbonate has a molecular weight of 200.09 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carboxyoxy-1,3-difluoropropan-2-yl) hydrogen carbonate is sourced from PubChem (CID 135144269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).