[1-carboxyoxy-3-fluoro-2-(fluoromethyl)propan-2-yl] hydrogen carbonate

C6H8F2O6 — CID 118937056

IUPAC[1-carboxyoxy-3-fluoro-2-(fluoromethyl)propan-2-yl] hydrogen carbonate
SMILESO=C(O)OCC(CF)(CF)OC(=O)O
InChIInChI=1S/C6H8F2O6/c7-1-6(2-8,14-5(11)12)3-13-4(9)10/h1-3H2,(H,9,10)(H,11,12)
InChIKeyBETXYGKSKAUMJJ-UHFFFAOYSA-N
MW214.12 g/mol
LogP1.05
Rot. Bonds5

About [1-carboxyoxy-3-fluoro-2-(fluoromethyl)propan-2-yl] hydrogen carbonate

[1-carboxyoxy-3-fluoro-2-(fluoromethyl)propan-2-yl] hydrogen carbonate (PubChem CID 118937056) has the molecular formula C6H8F2O6 and a molecular weight of 214.12 g/mol. Its IUPAC name is [1-carboxyoxy-3-fluoro-2-(fluoromethyl)propan-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[1-carboxyoxy-3-fluoro-2-(fluoromethyl)propan-2-yl] hydrogen carbonate
PubChem CID118937056
Molecular FormulaC6H8F2O6
Molecular Weight214.12 g/mol
Exact Mass214.03
IUPAC Name[1-carboxyoxy-3-fluoro-2-(fluoromethyl)propan-2-yl] hydrogen carbonate
SMILESO=C(O)OCC(CF)(CF)OC(=O)O
InChIInChI=1S/C6H8F2O6/c7-1-6(2-8,14-5(11)12)3-13-4(9)10/h1-3H2,(H,9,10)(H,11,12)
InChIKeyBETXYGKSKAUMJJ-UHFFFAOYSA-N
XLogP1.05
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.12
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-carboxyoxy-3-fluoro-2-(fluoromethyl)propan-2-yl] hydrogen carbonate?
The IUPAC name of [1-carboxyoxy-3-fluoro-2-(fluoromethyl)propan-2-yl] hydrogen carbonate (CID 118937056) is [1-carboxyoxy-3-fluoro-2-(fluoromethyl)propan-2-yl] hydrogen carbonate.
What is the SMILES notation for [1-carboxyoxy-3-fluoro-2-(fluoromethyl)propan-2-yl] hydrogen carbonate?
The canonical SMILES for [1-carboxyoxy-3-fluoro-2-(fluoromethyl)propan-2-yl] hydrogen carbonate is O=C(O)OCC(CF)(CF)OC(=O)O.
What is the InChIKey of [1-carboxyoxy-3-fluoro-2-(fluoromethyl)propan-2-yl] hydrogen carbonate?
The InChIKey is BETXYGKSKAUMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O6/c7-1-6(2-8,14-5(11)12)3-13-4(9)10/h1-3H2,(H,9,10)(H,11,12).
What are the key properties of [1-carboxyoxy-3-fluoro-2-(fluoromethyl)propan-2-yl] hydrogen carbonate?
[1-carboxyoxy-3-fluoro-2-(fluoromethyl)propan-2-yl] hydrogen carbonate has a molecular weight of 214.12 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carboxyoxy-3-fluoro-2-(fluoromethyl)propan-2-yl] hydrogen carbonate is sourced from PubChem (CID 118937056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).