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

C5H2F6O6 — CID 155355888

IUPAC(1-carboxyoxy-1,1,2,3,3,3-hexafluoropropan-2-yl) hydrogen carbonate
SMILESO=C(O)OC(F)(F)C(F)(OC(=O)O)C(F)(F)F
InChIInChI=1S/C5H2F6O6/c6-3(4(7,8)9,16-1(12)13)5(10,11)17-2(14)15/h(H,12,13)(H,14,15)
InChIKeyGVIDGIGWEWNEKV-UHFFFAOYSA-N
MW272.05 g/mol
LogP2.20
Rot. Bonds3

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

(1-carboxyoxy-1,1,2,3,3,3-hexafluoropropan-2-yl) hydrogen carbonate (PubChem CID 155355888) has the molecular formula C5H2F6O6 and a molecular weight of 272.05 g/mol. Its IUPAC name is (1-carboxyoxy-1,1,2,3,3,3-hexafluoropropan-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(1-carboxyoxy-1,1,2,3,3,3-hexafluoropropan-2-yl) hydrogen carbonate
PubChem CID155355888
Molecular FormulaC5H2F6O6
Molecular Weight272.05 g/mol
Exact Mass271.98
IUPAC Name(1-carboxyoxy-1,1,2,3,3,3-hexafluoropropan-2-yl) hydrogen carbonate
SMILESO=C(O)OC(F)(F)C(F)(OC(=O)O)C(F)(F)F
InChIInChI=1S/C5H2F6O6/c6-3(4(7,8)9,16-1(12)13)5(10,11)17-2(14)15/h(H,12,13)(H,14,15)
InChIKeyGVIDGIGWEWNEKV-UHFFFAOYSA-N
XLogP2.20
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-carboxyoxy-1,1,2,3,3,3-hexafluoropropan-2-yl) hydrogen carbonate?
The IUPAC name of (1-carboxyoxy-1,1,2,3,3,3-hexafluoropropan-2-yl) hydrogen carbonate (CID 155355888) is (1-carboxyoxy-1,1,2,3,3,3-hexafluoropropan-2-yl) hydrogen carbonate.
What is the SMILES notation for (1-carboxyoxy-1,1,2,3,3,3-hexafluoropropan-2-yl) hydrogen carbonate?
The canonical SMILES for (1-carboxyoxy-1,1,2,3,3,3-hexafluoropropan-2-yl) hydrogen carbonate is O=C(O)OC(F)(F)C(F)(OC(=O)O)C(F)(F)F.
What is the InChIKey of (1-carboxyoxy-1,1,2,3,3,3-hexafluoropropan-2-yl) hydrogen carbonate?
The InChIKey is GVIDGIGWEWNEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O6/c6-3(4(7,8)9,16-1(12)13)5(10,11)17-2(14)15/h(H,12,13)(H,14,15).
What are the key properties of (1-carboxyoxy-1,1,2,3,3,3-hexafluoropropan-2-yl) hydrogen carbonate?
(1-carboxyoxy-1,1,2,3,3,3-hexafluoropropan-2-yl) hydrogen carbonate has a molecular weight of 272.05 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carboxyoxy-1,1,2,3,3,3-hexafluoropropan-2-yl) hydrogen carbonate is sourced from PubChem (CID 155355888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).