2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid

C16H3F29O6 — CID 87841842

IUPAC2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid
SMILESO=C(O)C(F)(CF)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H3F29O6/c17-1-3(18,2(46)47)13(38,39)49-5(20,10(29,30)31)15(42,43)51-7(22,12(35,36)37)16(44,45)50-6(21,11(32,33)34)14(40,41)48-4(19,8(23,24)25)9(26,27)28/h1H2,(H,46,47)
InChIKeyYJIAXWNYXOAGPE-UHFFFAOYSA-N
MW842.14 g/mol
LogP8.66
Rot. Bonds14

About 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid

2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid (PubChem CID 87841842) has the molecular formula C16H3F29O6 and a molecular weight of 842.14 g/mol. Its IUPAC name is 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid
PubChem CID87841842
Molecular FormulaC16H3F29O6
Molecular Weight842.14 g/mol
Exact Mass841.95
IUPAC Name2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid
SMILESO=C(O)C(F)(CF)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H3F29O6/c17-1-3(18,2(46)47)13(38,39)49-5(20,10(29,30)31)15(42,43)51-7(22,12(35,36)37)16(44,45)50-6(21,11(32,33)34)14(40,41)48-4(19,8(23,24)25)9(26,27)28/h1H2,(H,46,47)
InChIKeyYJIAXWNYXOAGPE-UHFFFAOYSA-N
XLogP8.66
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.14
LogP ≤ 58.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid?
The IUPAC name of 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid (CID 87841842) is 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid.
What is the SMILES notation for 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid?
The canonical SMILES for 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid is O=C(O)C(F)(CF)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid?
The InChIKey is YJIAXWNYXOAGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H3F29O6/c17-1-3(18,2(46)47)13(38,39)49-5(20,10(29,30)31)15(42,43)51-7(22,12(35,36)37)16(44,45)50-6(21,11(32,33)34)14(40,41)48-4(19,8(23,24)25)9(26,27)28/h1H2,(H,46,47).
What are the key properties of 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid?
2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid has a molecular weight of 842.14 g/mol, XLogP of 8.66, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoro-2-(fluoromethyl)-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropanoic acid is sourced from PubChem (CID 87841842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).