(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl) hydrogen carbonate

C4H2F6O4 — CID 175891698

IUPAC(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl) hydrogen carbonate
SMILESO=C(O)OC(F)(C(O)(F)F)C(F)(F)F
InChIInChI=1S/C4H2F6O4/c5-2(3(6,7)8,4(9,10)13)14-1(11)12/h13H,(H,11,12)
InChIKeyWPSXJWHSUHMQNK-UHFFFAOYSA-N
MW228.04 g/mol
LogP1.49
Rot. Bonds2

About (1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl) hydrogen carbonate

(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl) hydrogen carbonate (PubChem CID 175891698) has the molecular formula C4H2F6O4 and a molecular weight of 228.04 g/mol. Its IUPAC name is (1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl) hydrogen carbonate
PubChem CID175891698
Molecular FormulaC4H2F6O4
Molecular Weight228.04 g/mol
Exact Mass227.99
IUPAC Name(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl) hydrogen carbonate
SMILESO=C(O)OC(F)(C(O)(F)F)C(F)(F)F
InChIInChI=1S/C4H2F6O4/c5-2(3(6,7)8,4(9,10)13)14-1(11)12/h13H,(H,11,12)
InChIKeyWPSXJWHSUHMQNK-UHFFFAOYSA-N
XLogP1.49
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.04
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl) hydrogen carbonate?
The IUPAC name of (1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl) hydrogen carbonate (CID 175891698) is (1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl) hydrogen carbonate.
What is the SMILES notation for (1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl) hydrogen carbonate?
The canonical SMILES for (1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl) hydrogen carbonate is O=C(O)OC(F)(C(O)(F)F)C(F)(F)F.
What is the InChIKey of (1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl) hydrogen carbonate?
The InChIKey is WPSXJWHSUHMQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O4/c5-2(3(6,7)8,4(9,10)13)14-1(11)12/h13H,(H,11,12).
What are the key properties of (1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl) hydrogen carbonate?
(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl) hydrogen carbonate has a molecular weight of 228.04 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl) hydrogen carbonate is sourced from PubChem (CID 175891698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).